 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer02_M11-augccpVDZr.in
 Output=12_L-valine_conformer02_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/Gau-13755.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     13774.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=12_L-valine_conformer02_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Sep 26 19:30:48 2021, MaxMem=  6442450944 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer02_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.993585000000     -1.745239000000      0.239671000000
  C                                                 1.146313000000     -0.227898000000      0.348170000000
  C                                                 0.022230000000      0.528321000000     -0.394337000000
  C                                                -1.334181000000     -0.019042000000      0.029559000000
  O                                                -1.895092000000     -0.819097000000     -0.904886000000
  C                                                 2.512610000000      0.221644000000     -0.165139000000
  N                                                 0.120252000000      1.961163000000     -0.137216000000
  O                                                -1.871612000000      0.224745000000      1.080003000000
  H                                                 0.139200000000      0.359391000000     -1.466547000000
  H                                                 1.057344000000      0.051271000000      1.404065000000
  H                                                -2.740016000000     -1.132676000000     -0.543174000000
  H                                                -0.508250000000      2.478404000000     -0.740521000000
  H                                                -0.164535000000      2.150467000000      0.818641000000
  H                                                 3.309830000000     -0.231043000000      0.427299000000
  H                                                 2.652415000000     -0.089583000000     -1.204317000000
  H                                                 2.612209000000      1.304246000000     -0.118207000000
  H                                                 0.069521000000     -2.102603000000      0.696299000000
  H                                                 0.997459000000     -2.065164000000     -0.805227000000
  H                                                 1.823354000000     -2.242758000000      0.743721000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Sun Sep 26 19:30:48 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.993585   -1.745239    0.239671
      2          6           0        1.146313   -0.227898    0.348170
      3          6           0        0.022230    0.528321   -0.394337
      4          6           0       -1.334181   -0.019042    0.029559
      5          8           0       -1.895092   -0.819097   -0.904886
      6          6           0        2.512610    0.221644   -0.165139
      7          7           0        0.120252    1.961163   -0.137216
      8          8           0       -1.871612    0.224745    1.080003
      9          1           0        0.139200    0.359391   -1.466547
     10          1           0        1.057344    0.051271    1.404065
     11          1           0       -2.740016   -1.132676   -0.543174
     12          1           0       -0.508250    2.478404   -0.740521
     13          1           0       -0.164535    2.150467    0.818641
     14          1           0        3.309830   -0.231043    0.427299
     15          1           0        2.652415   -0.089583   -1.204317
     16          1           0        2.612209    1.304246   -0.118207
     17          1           0        0.069521   -2.102603    0.696299
     18          1           0        0.997459   -2.065164   -0.805227
     19          1           0        1.823354   -2.242758    0.743721
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528863   0.000000
     3  C    2.552366   1.544910   0.000000
     4  C    2.905580   2.509579   1.522874   0.000000
     5  O    3.242253   3.342127   2.398399   1.351997   0.000000
     6  C    2.517923   1.527201   2.519638   3.859228   4.588922
     7  N    3.826509   2.465844   1.459026   2.462600   3.518632
     8  O    3.577198   3.138206   2.419189   1.204864   2.242753
     9  H    2.840884   2.156938   1.091720   2.133635   2.417156
    10  H    2.141805   1.095794   2.129152   2.759276   3.847814
    11  H    3.863658   4.088603   3.226618   1.882704   0.971115
    12  H    4.588621   3.353639   2.050384   2.740880   3.581042
    13  H    4.105237   2.756136   2.034098   2.587951   3.844956
    14  H    2.773623   2.164966   3.472756   4.665831   5.404788
    15  H    2.752819   2.167416   2.820593   4.173772   4.615373
    16  H    3.470933   2.171134   2.717775   4.164963   5.044126
    17  H    1.090923   2.189793   2.848418   2.599259   2.840930
    18  H    1.092785   2.174403   2.801083   3.212480   3.151106
    19  H    1.090921   2.162061   3.495440   3.927463   4.309473
                    6          7          8          9         10
     6  C    0.000000
     7  N    2.958054   0.000000
     8  O    4.557608   2.909346   0.000000
     9  H    2.710297   2.081623   3.247524   0.000000
    10  H    2.146911   2.627047   2.951930   3.029577   0.000000
    11  H    5.437571   4.232939   2.287230   3.371760   4.428703
    12  H    3.814397   1.013178   3.201881   2.331635   3.597403
    13  H    3.443151   1.015186   2.586663   2.919297   2.498466
    14  H    1.091544   3.911247   5.242242   3.740075   2.471329
    15  H    1.093754   3.428719   5.077769   2.566436   3.060678
    16  H    1.088186   2.577159   4.765048   2.970950   2.510949
    17  H    3.480357   4.148676   3.054795   3.277830   2.473035
    18  H    2.816893   4.174571   4.126663   2.655639   3.060042
    19  H    2.715581   4.620558   4.455831   3.806946   2.507069
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.249662   0.000000
    13  H    4.389382   1.629929   0.000000
    14  H    6.193173   4.825209   4.230361   0.000000
    15  H    5.532040   4.098715   4.128606   1.764760   0.000000
    16  H    5.896227   3.391635   3.050259   1.772389   1.767487
    17  H    3.220334   4.835690   4.261262   3.751626   3.786282
    18  H    3.860949   4.786999   4.664625   3.198465   2.607887
    19  H    4.869571   5.470715   4.822628   2.521256   3.019662
                   16         17         18         19
    16  H    0.000000
    17  H    4.328430   0.000000
    18  H    3.798992   1.765517   0.000000
    19  H    3.734495   1.760063   1.764336   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.89D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.993585   -1.745239    0.239671
      2          6           0        1.146313   -0.227898    0.348170
      3          6           0        0.022230    0.528321   -0.394337
      4          6           0       -1.334181   -0.019042    0.029559
      5          8           0       -1.895092   -0.819097   -0.904886
      6          6           0        2.512610    0.221644   -0.165139
      7          7           0        0.120252    1.961163   -0.137216
      8          8           0       -1.871612    0.224745    1.080003
      9          1           0        0.139200    0.359391   -1.466547
     10          1           0        1.057344    0.051271    1.404065
     11          1           0       -2.740016   -1.132676   -0.543174
     12          1           0       -0.508250    2.478404   -0.740521
     13          1           0       -0.164535    2.150467    0.818641
     14          1           0        3.309830   -0.231043    0.427299
     15          1           0        2.652415   -0.089583   -1.204317
     16          1           0        2.612209    1.304246   -0.118207
     17          1           0        0.069521   -2.102603    0.696299
     18          1           0        0.997459   -2.065164   -0.805227
     19          1           0        1.823354   -2.242758    0.743721
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.8120243           1.5720449           1.2312158
 Leave Link  202 at Sun Sep 26 19:30:48 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.1252170652 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Sun Sep 26 19:30:51 2021, MaxMem=  6442450944 cpu:              17.8 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.86D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Sun Sep 26 19:30:52 2021, MaxMem=  6442450944 cpu:               4.8 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Sep 26 19:30:52 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer02_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Sep 26 19:30:53 2021, MaxMem=  6442450944 cpu:               4.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442266785 LenY=  6442176943
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.208836550647    
 DIIS: error= 3.23D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.208836550647     IErMin= 1 ErrMin= 3.23D-03
 ErrMax= 3.23D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-02 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.23D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.445 Goal=   None    Shift=    0.000
 GapD=    0.445 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.60D-02 MaxDP=1.52D+00              OVMax= 2.11D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.55D-02    CP:  1.14D+00
 E= -402.220712634547     Delta-E=       -0.011876083900 Rises=F Damp=F
 DIIS: error= 9.05D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.220712634547     IErMin= 2 ErrMin= 9.05D-04
 ErrMax= 9.05D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.20D-04 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.05D-03
 Coeff-Com: -0.362D-03 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.359D-03 0.100D+01
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=2.95D-03 MaxDP=3.25D-01 DE=-1.19D-02 OVMax= 7.73D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.17D-03    CP:  1.17D+00  1.17D+00
 E= -402.221058820867     Delta-E=       -0.000346186320 Rises=F Damp=F
 DIIS: error= 8.09D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -402.221058820867     IErMin= 3 ErrMin= 8.09D-04
 ErrMax= 8.09D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.65D-04 BMatP= 6.20D-04
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.09D-03
 Coeff-Com: -0.509D-01 0.510D+00 0.541D+00
 Coeff-En:   0.000D+00 0.202D+00 0.798D+00
 Coeff:     -0.505D-01 0.508D+00 0.543D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=3.93D-04 MaxDP=4.32D-02 DE=-3.46D-04 OVMax= 3.34D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.66D-04    CP:  1.17D+00  1.19D+00  1.11D+00
 E= -402.221434266209     Delta-E=       -0.000375445342 Rises=F Damp=F
 DIIS: error= 1.25D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.221434266209     IErMin= 4 ErrMin= 1.25D-04
 ErrMax= 1.25D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-05 BMatP= 5.65D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.25D-03
 Coeff-Com: -0.103D-01 0.357D-01 0.110D+00 0.864D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.103D-01 0.356D-01 0.110D+00 0.864D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.19D-04 MaxDP=4.39D-03 DE=-3.75D-04 OVMax= 1.59D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.21D-05    CP:  1.17D+00  1.19D+00  1.17D+00  1.16D+00
 E= -402.221447609770     Delta-E=       -0.000013343560 Rises=F Damp=F
 DIIS: error= 7.21D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.221447609770     IErMin= 5 ErrMin= 7.21D-05
 ErrMax= 7.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.59D-06 BMatP= 1.26D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.323D-02-0.653D-01-0.388D-01 0.442D+00 0.659D+00
 Coeff:      0.323D-02-0.653D-01-0.388D-01 0.442D+00 0.659D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=4.18D-05 MaxDP=2.58D-03 DE=-1.33D-05 OVMax= 7.61D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.48D-05    CP:  1.17D+00  1.19D+00  1.19D+00  1.25D+00  1.30D+00
 E= -402.221452756036     Delta-E=       -0.000005146266 Rises=F Damp=F
 DIIS: error= 2.04D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.221452756036     IErMin= 6 ErrMin= 2.04D-05
 ErrMax= 2.04D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.85D-07 BMatP= 5.59D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.242D-02-0.289D-01-0.288D-01 0.745D-01 0.248D+00 0.733D+00
 Coeff:      0.242D-02-0.289D-01-0.288D-01 0.745D-01 0.248D+00 0.733D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.59D-05 MaxDP=1.62D-03 DE=-5.15D-06 OVMax= 3.32D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.74D-06    CP:  1.17D+00  1.19D+00  1.18D+00  1.27D+00  1.38D+00
                    CP:  1.28D+00
 E= -402.221453218506     Delta-E=       -0.000000462470 Rises=F Damp=F
 DIIS: error= 5.67D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.221453218506     IErMin= 7 ErrMin= 5.67D-06
 ErrMax= 5.67D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.12D-08 BMatP= 3.85D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.300D-05 0.422D-02 0.186D-03-0.537D-01-0.452D-01 0.157D+00
 Coeff-Com:  0.938D+00
 Coeff:     -0.300D-05 0.422D-02 0.186D-03-0.537D-01-0.452D-01 0.157D+00
 Coeff:      0.938D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.12D-05 MaxDP=1.35D-03 DE=-4.62D-07 OVMax= 1.94D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.46D-06    CP:  1.17D+00  1.19D+00  1.18D+00  1.26D+00  1.41D+00
                    CP:  1.37D+00  1.42D+00
 E= -402.221453291067     Delta-E=       -0.000000072561 Rises=F Damp=F
 DIIS: error= 1.52D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.221453291067     IErMin= 8 ErrMin= 1.52D-06
 ErrMax= 1.52D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.24D-09 BMatP= 3.12D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.192D-03 0.277D-02 0.259D-02-0.132D-01-0.239D-01-0.490D-01
 Coeff-Com:  0.913D-01 0.990D+00
 Coeff:     -0.192D-03 0.277D-02 0.259D-02-0.132D-01-0.239D-01-0.490D-01
 Coeff:      0.913D-01 0.990D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=3.22D-06 MaxDP=2.23D-04 DE=-7.26D-08 OVMax= 6.95D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.30D-06    CP:  1.17D+00  1.19D+00  1.18D+00  1.26D+00  1.41D+00
                    CP:  1.40D+00  1.59D+00  1.26D+00
 E= -402.221453297821     Delta-E=       -0.000000006754 Rises=F Damp=F
 DIIS: error= 6.58D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.221453297821     IErMin= 9 ErrMin= 6.58D-07
 ErrMax= 6.58D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.69D-10 BMatP= 2.24D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.502D-04 0.356D-03 0.752D-03 0.143D-02-0.177D-02-0.284D-01
 Coeff-Com: -0.685D-01 0.267D+00 0.829D+00
 Coeff:     -0.502D-04 0.356D-03 0.752D-03 0.143D-02-0.177D-02-0.284D-01
 Coeff:     -0.685D-01 0.267D+00 0.829D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=8.16D-07 MaxDP=6.73D-05 DE=-6.75D-09 OVMax= 1.93D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.56D-07    CP:  1.17D+00  1.19D+00  1.18D+00  1.26D+00  1.40D+00
                    CP:  1.41D+00  1.64D+00  1.37D+00  1.09D+00
 E= -402.221453298626     Delta-E=       -0.000000000805 Rises=F Damp=F
 DIIS: error= 2.18D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.221453298626     IErMin=10 ErrMin= 2.18D-07
 ErrMax= 2.18D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.65D-11 BMatP= 3.69D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.182D-04-0.342D-03-0.232D-03 0.215D-02 0.337D-02 0.263D-02
 Coeff-Com: -0.245D-01-0.995D-01 0.120D+00 0.996D+00
 Coeff:      0.182D-04-0.342D-03-0.232D-03 0.215D-02 0.337D-02 0.263D-02
 Coeff:     -0.245D-01-0.995D-01 0.120D+00 0.996D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=3.05D-07 MaxDP=2.02D-05 DE=-8.05D-10 OVMax= 8.54D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.10D-07    CP:  1.17D+00  1.19D+00  1.18D+00  1.26D+00  1.40D+00
                    CP:  1.41D+00  1.65D+00  1.40D+00  1.19D+00  1.32D+00
 E= -402.221453298741     Delta-E=       -0.000000000115 Rises=F Damp=F
 DIIS: error= 8.40D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -402.221453298741     IErMin=11 ErrMin= 8.40D-08
 ErrMax= 8.40D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.57D-12 BMatP= 3.65D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D-04-0.131D-03-0.139D-03 0.468D-03 0.114D-02 0.326D-02
 Coeff-Com: -0.955D-03-0.521D-01-0.405D-01 0.288D+00 0.801D+00
 Coeff:      0.100D-04-0.131D-03-0.139D-03 0.468D-03 0.114D-02 0.326D-02
 Coeff:     -0.955D-03-0.521D-01-0.405D-01 0.288D+00 0.801D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=5.64D-08 MaxDP=3.13D-06 DE=-1.15D-10 OVMax= 1.79D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.60D-08    CP:  1.17D+00  1.19D+00  1.18D+00  1.26D+00  1.40D+00
                    CP:  1.41D+00  1.65D+00  1.40D+00  1.20D+00  1.37D+00
                    CP:  1.22D+00
 E= -402.221453298743     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 3.30D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -402.221453298743     IErMin=12 ErrMin= 3.30D-08
 ErrMax= 3.30D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.47D-13 BMatP= 5.57D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.143D-05 0.366D-04 0.119D-04-0.301D-03-0.368D-03 0.277D-03
 Coeff-Com:  0.446D-02 0.673D-02-0.335D-01-0.117D+00 0.190D+00 0.950D+00
 Coeff:     -0.143D-05 0.366D-04 0.119D-04-0.301D-03-0.368D-03 0.277D-03
 Coeff:      0.446D-02 0.673D-02-0.335D-01-0.117D+00 0.190D+00 0.950D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=3.08D-08 MaxDP=1.68D-06 DE=-1.59D-12 OVMax= 1.15D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.66D-08    CP:  1.17D+00  1.19D+00  1.18D+00  1.26D+00  1.40D+00
                    CP:  1.41D+00  1.65D+00  1.39D+00  1.19D+00  1.39D+00
                    CP:  1.34D+00  1.33D+00
 E= -402.221453298754     Delta-E=       -0.000000000012 Rises=F Damp=F
 DIIS: error= 1.66D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -402.221453298754     IErMin=13 ErrMin= 1.66D-08
 ErrMax= 1.66D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.15D-14 BMatP= 8.47D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.127D-05 0.185D-04 0.170D-04-0.859D-04-0.178D-03-0.328D-03
 Coeff-Com:  0.558D-03 0.665D-02 0.173D-02-0.426D-01-0.840D-01 0.808D-01
 Coeff-Com:  0.104D+01
 Coeff:     -0.127D-05 0.185D-04 0.170D-04-0.859D-04-0.178D-03-0.328D-03
 Coeff:      0.558D-03 0.665D-02 0.173D-02-0.426D-01-0.840D-01 0.808D-01
 Coeff:      0.104D+01
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.01D-08 MaxDP=4.82D-07 DE=-1.16D-11 OVMax= 5.34D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  5.13D-09    CP:  1.17D+00  1.19D+00  1.18D+00  1.26D+00  1.40D+00
                    CP:  1.41D+00  1.65D+00  1.39D+00  1.19D+00  1.38D+00
                    CP:  1.36D+00  1.47D+00  1.20D+00
 E= -402.221453298755     Delta-E=       -0.000000000000 Rises=F Damp=F
 DIIS: error= 6.24D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -402.221453298755     IErMin=14 ErrMin= 6.24D-09
 ErrMax= 6.24D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-14 BMatP= 9.15D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.139D-06-0.465D-05-0.395D-06 0.454D-04 0.456D-04-0.729D-04
 Coeff-Com: -0.708D-03-0.627D-03 0.552D-02 0.160D-01-0.403D-01-0.151D+00
 Coeff-Com:  0.106D+00 0.107D+01
 Coeff:      0.139D-06-0.465D-05-0.395D-06 0.454D-04 0.456D-04-0.729D-04
 Coeff:     -0.708D-03-0.627D-03 0.552D-02 0.160D-01-0.403D-01-0.151D+00
 Coeff:      0.106D+00 0.107D+01
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=4.51D-09 MaxDP=4.13D-07 DE=-3.41D-13 OVMax= 2.34D-07

 SCF Done:  E(RM11) =  -402.221453299     A.U. after   14 cycles
            NFock= 14  Conv=0.45D-08     -V/T= 2.0071
 KE= 3.994051016264D+02 PE=-1.752865172210D+03 EE= 5.441134002196D+02
 Leave Link  502 at Sun Sep 26 19:36:18 2021, MaxMem=  6442450944 cpu:            2597.5 elap:             324.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.80780339D+02

 Leave Link  801 at Sun Sep 26 19:36:18 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.77D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.51D-01 4.86D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 1.46D-02 2.06D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.64D-03 8.36D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 8.49D-05 1.32D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 2.58D-06 2.30D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 9.34D-08 4.39D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 2.20D-09 9.42D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 4.58D-11 1.47D-06.
     10 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 7.26D-13 1.68D-07.
      4 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 1.30D-14 1.68D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.885055D+02
      2  0.216710D+01  0.811768D+02
      3 -0.143892D+01  0.178954D+01  0.728566D+02
 Isotropic polarizability for W=    0.088559       80.85 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.817418D+02 -0.178707D+02  0.778873D+01
      2  -0.360468D+02  0.128893D+02 -0.362280D+01
      3  -0.456950D+02  0.498146D+01 -0.416593D+01
      4  -0.248102D+02  0.636853D+02 -0.169550D+02
      5   0.809599D+01 -0.175882D+02  0.356504D+02
      6  -0.574857D+01 -0.200230D+01 -0.108325D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.122531D+01  0.476198D-01  0.167232D+01
      2   0.282304D+01 -0.507234D+01  0.246951D+02
      3   0.600943D+01 -0.372857D+02  0.553069D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.633275D+00  0.162049D+01  0.158139D+02
      2  -0.307267D+00 -0.112064D+02  0.813454D+02
      3  -0.693946D+01 -0.997322D+02  0.118397D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.708562D-01 -0.553512D+00 -0.811127D+00
      2  -0.553512D+00 -0.648904D+00  0.849315D+00
      3  -0.811127D+00  0.849315D+00 -0.188916D+00
 OR G Eigenvalues:    -1.3023    -0.7308     1.2661  Iso=     0.2557
 Eigenvectors:
   (1)  -0.064270   0.770291  -0.634445
   (2)   0.770215   0.442538   0.459270
   (3)   0.634538  -0.459142  -0.621732
 w=    0.088559 a.u., Optical Rotation Beta=      0.2557 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      110.66 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 1.67D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.51D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 4.31D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.71D-02 2.48D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.16D-03 5.01D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.93D-05 6.04D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 2.37D-07 4.75D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.64D-09 5.09D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 2.69D-11 4.11D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 2.40D-13 4.15D-08.
      4 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 1.86D-15 4.04D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   244 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 1.20D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 1.20D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.59D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.885055D+02  0.216710D+01 -0.143892D+01
      2   0.216710D+01  0.811768D+02  0.178954D+01
      3  -0.143892D+01  0.178954D+01  0.728566D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.122531D+01  0.476198D-01  0.167232D+01
      2   0.282304D+01 -0.507234D+01  0.246951D+02
      3   0.600943D+01 -0.372857D+02  0.553069D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.817418D+02 -0.178707D+02  0.778873D+01
      2  -0.360468D+02  0.128893D+02 -0.362280D+01
      3  -0.456950D+02  0.498146D+01 -0.416593D+01
      4  -0.248102D+02  0.636853D+02 -0.169550D+02
      5   0.809599D+01 -0.175882D+02  0.356504D+02
      6  -0.574857D+01 -0.200230D+01 -0.108325D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.100756D+01  0.472725D+01 -0.397579D+01  0.378752D+01 -0.113779D+01
      2   0.472725D+01 -0.146713D+01  0.559088D+00 -0.113779D+01 -0.349730D+01
      3  -0.397579D+01  0.559088D+00 -0.316337D+00  0.378470D+00 -0.276654D+00
                 6             7             8             9            10 
      1   0.378470D+00 -0.418437D+01  0.427412D+00 -0.374908D+00  0.232984D+00
      2  -0.276654D+00  0.427412D+00 -0.803233D+00  0.370837D+01 -0.451344D+01
      3   0.287521D+01 -0.374908D+00  0.370837D+01  0.464690D+01  0.250161D+01
                11            12            13            14            15 
      1  -0.451344D+01  0.250161D+01 -0.634895D+01  0.171758D+01 -0.676530D-01
      2   0.204563D+01 -0.154910D+00  0.171758D+01  0.443375D+01 -0.161114D+00
      3  -0.154910D+00  0.838466D+00 -0.676530D-01 -0.161114D+00 -0.251019D+01
                16            17            18            19            20 
      1   0.508781D+01 -0.175735D+00  0.127429D+01 -0.122310D+01  0.555787D+01
      2  -0.175735D+00  0.721141D+00 -0.299753D+01  0.555787D+01 -0.302197D+00
      3   0.127429D+01 -0.299753D+01 -0.808088D+01 -0.989576D+00  0.190776D+00
                21            22            23            24            25 
      1  -0.989576D+00  0.428361D+01 -0.979426D+00  0.255839D+00 -0.460708D+01
      2   0.190776D+00 -0.979426D+00 -0.261148D+01 -0.148256D+00 -0.214693D+00
      3  -0.683111D+00  0.255839D+00 -0.148256D+00  0.146375D+01 -0.873638D+00
                26            27            28            29            30 
      1  -0.214693D+00 -0.873638D+00 -0.112036D+01 -0.245948D+01 -0.360583D+00
      2  -0.196587D+01  0.170737D+01 -0.245948D+01  0.607607D+00  0.849866D+00
      3   0.170737D+01  0.645363D+01 -0.360583D+00  0.849866D+00  0.135255D+01
                31            32            33            34            35 
      1  -0.191477D+01 -0.310627D+00  0.115690D+01 -0.219498D+01  0.910526D+00
      2  -0.310627D+00 -0.117433D+01  0.318692D+00  0.910526D+00  0.176780D+00
      3   0.115690D+01  0.318692D+00 -0.494659D+00  0.236071D+01 -0.253458D+00
                36            37            38            39            40 
      1   0.236071D+01  0.502944D+01  0.191785D+01 -0.171314D+01  0.155259D+01
      2  -0.253458D+00  0.191785D+01  0.135962D+01 -0.276857D+00  0.822021D+00
      3  -0.397708D+01 -0.171314D+01 -0.276857D+00 -0.626942D-01 -0.653238D+00
                41            42            43            44            45 
      1   0.822021D+00 -0.653238D+00 -0.365724D+01 -0.149928D+01 -0.195898D+01
      2  -0.161464D+01 -0.172898D+01 -0.149928D+01 -0.252544D+01 -0.150255D+01
      3  -0.172898D+01 -0.467789D+00 -0.195898D+01 -0.150255D+01 -0.392765D+01
                46            47            48            49            50 
      1   0.318263D+00  0.363261D+01 -0.343165D+01  0.442099D+01 -0.188619D+01
      2   0.363261D+01 -0.928252D+00  0.359482D+00 -0.188619D+01 -0.583790D+01
      3  -0.343165D+01  0.359482D+00 -0.184500D+01  0.522451D+00 -0.402443D+00
                51            52            53            54            55 
      1   0.522451D+00 -0.526029D+01  0.255752D+00 -0.293722D+01  0.239510D+01
      2  -0.402443D+00  0.255752D+00 -0.604648D+00  0.255915D+01 -0.239290D+01
      3   0.273500D+01 -0.293722D+01  0.255915D+01  0.548985D+01  0.118306D+01
                56            57            58            59            60 
      1  -0.239290D+01  0.118306D+01 -0.121696D+01  0.253930D+01 -0.807696D+00
      2   0.304456D+01 -0.539289D+00  0.253930D+01  0.401583D+01  0.605374D+00
      3  -0.539289D+00  0.247139D+01 -0.807696D+00  0.605374D+00 -0.136762D+01
                61            62            63            64            65 
      1   0.184210D+01 -0.108972D+01  0.270724D+01 -0.494542D+01  0.837480D+00
      2  -0.108972D+01  0.784996D+00 -0.142192D+01  0.837480D+00 -0.150164D+01
      3   0.270724D+01 -0.142192D+01 -0.301588D+01  0.335259D+01 -0.711355D+00
                66            67            68            69            70 
      1   0.335259D+01  0.150659D+01 -0.132439D+01 -0.615464D+00  0.544069D+01
      2  -0.711355D+00 -0.132439D+01  0.204834D+01  0.202754D+01 -0.115500D+00
      3  -0.259022D+01 -0.615464D+00  0.202754D+01  0.772077D+00 -0.338221D+01
                71            72            73            74            75 
      1  -0.115500D+00 -0.338221D+01  0.565899D+00 -0.690455D+00 -0.103708D+01
      2   0.295129D+01  0.906537D+00 -0.690455D+00  0.369497D+00  0.325146D-01
      3   0.906537D+00  0.865337D+01 -0.103708D+01  0.325146D-01  0.931487D+00
                76            77            78            79            80 
      1  -0.938096D+00  0.231419D+00 -0.175761D-01 -0.125858D+01  0.118599D+00
      2   0.231419D+00  0.801529D-01 -0.105957D+01  0.118599D+00 -0.139112D+01
      3  -0.175761D-01 -0.105957D+01 -0.720910D+00  0.321828D+00 -0.305481D+00
                81            82            83            84            85 
      1   0.321828D+00 -0.186242D+00  0.955992D+00  0.789396D+00  0.116982D+01
      2  -0.305481D+00  0.955992D+00 -0.405184D+00  0.103098D-01 -0.259767D+00
      3  -0.750703D+01  0.789396D+00  0.103098D-01 -0.181502D+00  0.128288D-01
                86            87            88            89            90 
      1  -0.259767D+00  0.128288D-01  0.127351D+01 -0.281933D-01 -0.489689D-01
      2   0.327441D+00  0.139406D+01 -0.281933D-01  0.189557D+01  0.137361D+01
      3   0.139406D+01  0.153815D+01 -0.489689D-01  0.137361D+01  0.808604D+01
                91            92            93            94            95 
      1  -0.805654D+01 -0.355098D+01 -0.503267D+00 -0.284500D+01 -0.204960D+01
      2  -0.355098D+01 -0.263395D+01 -0.307199D+00 -0.204960D+01 -0.201831D+01
      3  -0.503267D+00 -0.307199D+00 -0.120413D+01 -0.946193D-01 -0.283386D+00
                96            97            98            99           100 
      1  -0.946193D-01  0.225546D+01  0.107637D+01 -0.722442D+00 -0.197071D+01
      2  -0.283386D+00  0.107637D+01  0.670215D+00 -0.344800D+00  0.257601D+01
      3  -0.553400D+00 -0.722442D+00 -0.344800D+00 -0.646178D-03 -0.132014D+01
               101           102           103           104           105 
      1   0.257601D+01 -0.132014D+01  0.215160D+01 -0.229880D+01  0.108857D+01
      2  -0.322831D+01  0.141702D+01 -0.229880D+01  0.451538D+01 -0.155704D+01
      3   0.141702D+01 -0.138933D+01  0.108857D+01 -0.155704D+01  0.136197D+01
               106           107           108           109           110 
      1  -0.216888D+01  0.166858D+01 -0.159402D+01 -0.212438D+00  0.793318D+00
      2   0.166858D+01 -0.310966D+01  0.201557D+01  0.793318D+00 -0.808002D+00
      3  -0.159402D+01  0.201557D+01 -0.214783D+01  0.302070D+00 -0.581212D+00
               111           112           113           114           115 
      1   0.302070D+00  0.740451D+00 -0.390758D+00 -0.527657D+00  0.134807D+01
      2  -0.581212D+00 -0.390758D+00  0.145374D+01  0.862651D+00 -0.507334D+00
      3  -0.898096D+00 -0.527657D+00  0.862651D+00  0.121180D+01 -0.104070D+01
               116           117           118           119           120 
      1  -0.507334D+00 -0.104070D+01  0.747837D+01 -0.179749D+01  0.251314D+01
      2   0.271613D+01  0.198482D+01 -0.179749D+01  0.135433D+01 -0.580584D+00
      3   0.198482D+01  0.474137D+01  0.251314D+01 -0.580584D+00  0.187544D+01
               121           122           123           124           125 
      1  -0.341835D+01  0.183407D+01 -0.760351D+00  0.448307D+01 -0.716308D+00
      2   0.183407D+01 -0.831290D+00  0.797689D+00 -0.716308D+00  0.107167D+01
      3  -0.760351D+00  0.797689D+00 -0.112776D+01  0.246668D+01 -0.953572D+00
               126           127           128           129           130 
      1   0.246668D+01  0.118394D+01 -0.527787D+00 -0.977324D+00 -0.130313D+01
      2  -0.953572D+00 -0.527787D+00  0.287607D+00  0.108729D+00  0.690758D+00
      3   0.172386D+01 -0.977324D+00  0.108729D+00  0.975510D+00  0.474933D+00
               131           132           133           134           135 
      1   0.690758D+00  0.474933D+00 -0.230566D+01  0.175541D+00  0.258096D+01
      2  -0.253886D+00 -0.113486D+01  0.175541D+00 -0.143992D+01 -0.104313D+01
      3  -0.113486D+01 -0.166147D+01  0.258096D+01 -0.104313D+01 -0.733457D+01
               136           137           138           139           140 
      1   0.559448D+00  0.125126D+01  0.343862D+00  0.259834D+01  0.208073D+01
      2   0.125126D+01  0.127767D+01 -0.395576D-01  0.208073D+01  0.791589D+01
      3   0.343862D+00 -0.395576D-01  0.340270D+00 -0.160340D+00 -0.261128D-01
               141           142           143           144           145 
      1  -0.160340D+00  0.635963D+00  0.289874D-01  0.715390D+00 -0.554831D+01
      2  -0.261128D-01  0.289874D-01  0.238712D+00  0.714418D+00 -0.211788D+01
      3   0.880758D+00  0.715390D+00  0.714418D+00 -0.434243D+00  0.181115D+01
               146           147           148           149           150 
      1  -0.211788D+01  0.181115D+01 -0.137555D+01 -0.182114D+01  0.683762D+00
      2  -0.289451D+01  0.923311D+00 -0.182114D+01 -0.187532D+01  0.915718D+00
      3   0.923311D+00 -0.142881D+01  0.683762D+00  0.915718D+00 -0.984646D+00
               151           152           153           154           155 
      1   0.195571D+01  0.851362D+00 -0.128790D+01 -0.160216D+00 -0.950682D+00
      2   0.851362D+00  0.158291D+01 -0.144823D+01 -0.950682D+00  0.213811D+00
      3  -0.128790D+01 -0.144823D+01  0.118438D+01 -0.563304D+00  0.315111D-01
               156           157           158           159           160 
      1  -0.563304D+00 -0.618641D+00  0.139639D+00  0.131058D-02 -0.102231D+01
      2   0.315111D-01  0.139639D+00 -0.171604D+01 -0.153324D+01  0.120698D+00
      3   0.131043D+00  0.131058D-02 -0.153324D+01 -0.165451D+01  0.213341D+00
               161           162           163           164           165 
      1   0.120698D+00  0.213341D+00  0.465233D+01 -0.324854D+01  0.207497D+01
      2  -0.316457D+01 -0.277796D+01 -0.324854D+01  0.360884D+01 -0.129164D+01
      3  -0.277796D+01 -0.616081D+01  0.207497D+01 -0.129164D+01  0.168307D+01
               166           167           168           169           170 
      1  -0.223207D+01  0.240298D+01 -0.870471D+00  0.233702D+01 -0.128706D+01
      2   0.240298D+01 -0.336002D+01  0.138993D+01 -0.128706D+01  0.219504D+01
      3  -0.870471D+00  0.138993D+01 -0.129576D+01  0.158055D+01 -0.192123D+01
               171 
      1   0.158055D+01
      2  -0.192123D+01
      3   0.160721D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.736529D+01  0.597248D+00 -0.113646D+00  0.114890D+00 -0.367280D+01
      2  -0.464399D+01 -0.138467D+00  0.244427D+01 -0.325107D+00  0.297329D+00
      3  -0.872396D+01 -0.132516D+02  0.818193D+01 -0.594377D+01  0.649293D+01
                 6             7             8             9            10 
      1   0.462053D+01 -0.625787D+00  0.117213D+02  0.103799D+02  0.640918D-01
      2   0.292222D+01 -0.139344D+01  0.386529D+01  0.506459D+01  0.427071D+01
      3  -0.474733D+00  0.865645D+01 -0.419242D+00 -0.390356D+01  0.619278D+01
                11            12            13            14            15 
      1   0.150038D+00  0.174185D+00 -0.447890D+00  0.233870D+01 -0.361228D+01
      2  -0.142091D+00  0.375961D+01 -0.103561D+01 -0.318405D+00 -0.341570D+01
      3  -0.440351D+01 -0.551425D+00  0.225544D+01 -0.711534D+01  0.489454D+00
                16            17            18            19            20 
      1   0.234315D-01  0.326277D+01 -0.296798D+01 -0.171418D+01 -0.141741D+01
      2  -0.298719D+01 -0.392946D+01 -0.101644D+02  0.267283D+01 -0.679100D+00
      3   0.168967D+01 -0.613386D+00  0.377805D+01  0.127668D+01 -0.367443D+01
                21            22            23            24            25 
      1  -0.348815D+00 -0.377774D+00  0.356226D+01 -0.120498D+01  0.624523D+00
      2   0.225891D+01  0.809820D+00 -0.227522D+01  0.124078D+01 -0.786263D+01
      3   0.100785D+01  0.209615D+01 -0.356802D+01  0.137044D+01 -0.360447D+01
                26            27            28            29            30 
      1   0.415799D+01 -0.383877D+01  0.543918D+00  0.262936D+01  0.223555D+01
      2   0.116179D+00  0.650520D-01 -0.616560D+01  0.673938D+00 -0.176216D+01
      3   0.134916D+01 -0.593555D+00 -0.104728D+02  0.420901D+01 -0.174935D+01
                31            32            33            34            35 
      1  -0.183160D+00 -0.590539D+01 -0.589717D+01  0.203591D+01 -0.236393D+01
      2   0.351278D+01  0.236218D+01 -0.163117D+01 -0.341240D+01 -0.949739D+00
      3   0.150965D+02  0.823082D+01 -0.239205D+01 -0.702034D+01 -0.710629D+01
                36            37            38            39            40 
      1   0.469516D+01 -0.235106D+01  0.361591D+00 -0.809549D+00 -0.841276D+00
      2   0.949440D+01  0.671629D+01  0.221511D+01  0.178216D+01 -0.909277D+00
      3  -0.164057D+01  0.193904D+01 -0.825718D+00  0.802907D+00  0.201641D+01
                41            42            43            44            45 
      1   0.168066D+01 -0.226963D+01  0.230394D+01  0.519329D+01 -0.262524D+01
      2   0.318913D+01  0.127804D+01 -0.536658D+01  0.109301D+01  0.769849D+01
      3  -0.509501D+01 -0.265672D+01  0.253342D+01 -0.144782D+01 -0.178031D+01
                46            47            48            49            50 
      1   0.515720D+00  0.651425D+00  0.201389D+00  0.149241D+01  0.214833D+01
      2  -0.111292D+02  0.149035D+01 -0.476195D+01  0.249902D+01 -0.157911D+01
      3  -0.919603D+01  0.228366D+01 -0.209230D+01  0.114542D+02  0.188103D+02
                51            52            53            54            55 
      1  -0.295008D+01  0.117757D+01  0.103987D+01 -0.234555D+01 -0.164508D+01
      2   0.765694D+01 -0.135840D+02  0.702370D+01  0.149544D+02  0.153438D+01
      3   0.447685D+00 -0.352657D+01  0.140126D+01 -0.850137D+01  0.675438D+01
                56            57            58            59            60 
      1   0.231156D+01 -0.730214D+01  0.177644D+01 -0.399440D+01 -0.950763D+00
      2   0.662952D+00  0.425637D+01  0.383943D+00  0.162708D+01  0.153018D+00
      3  -0.113204D+02  0.249278D+01  0.196572D+01  0.683879D+01 -0.206222D+01
                61            62            63            64            65 
      1  -0.740830D+01  0.881431D+01  0.732887D+01 -0.152877D+00 -0.380026D+01
      2  -0.829878D+00  0.275540D+00 -0.866135D+00  0.323235D+00  0.140333D+01
      3   0.319534D+01 -0.229502D+01  0.790768D+01  0.226095D+01 -0.698035D+01
                66            67            68            69            70 
      1   0.101058D+00 -0.215515D+00  0.153550D+01 -0.980568D+00 -0.109273D+01
      2   0.790657D+01  0.298410D+00 -0.486127D+01 -0.118010D+01 -0.269036D+01
      3  -0.340258D+00 -0.249155D+01  0.345097D+00  0.448543D+01  0.404373D+01
                71            72            73            74            75 
      1   0.705506D+01 -0.750847D+00  0.994272D+00 -0.458423D+00 -0.137037D-01
      2  -0.211981D+01 -0.160289D+02  0.540671D+00 -0.279091D+00  0.276163D+00
      3   0.683326D+01  0.250358D+01  0.109115D+00 -0.872384D+00 -0.681752D+00
                76            77            78            79            80 
      1  -0.596299D-01  0.832567D+00 -0.323077D-01 -0.239754D+00  0.389231D+01
      2  -0.745168D+00  0.163961D+00 -0.321099D+00 -0.362887D+01  0.149516D+00
      3   0.141630D+01  0.147557D+00 -0.988743D-01  0.834595D-01  0.208500D+00
                81            82            83            84            85 
      1   0.391323D+01  0.111302D+01 -0.616022D+00 -0.492312D-01 -0.253823D+00
      2   0.491827D+00  0.130827D+01 -0.571339D+00  0.396209D-01 -0.143601D+01
      3  -0.490859D+00 -0.125623D+01 -0.675664D+00 -0.101185D+00  0.146519D+01
                86            87            88            89            90 
      1   0.118005D+01 -0.200821D+00 -0.427438D+00  0.432871D+01  0.215962D+01
      2   0.216500D+01  0.195558D+01 -0.423044D+01  0.218232D+01  0.101568D+02
      3  -0.459600D+00 -0.157128D+01  0.279995D+00 -0.204834D+01 -0.160901D+01
                91            92            93            94            95 
      1   0.307239D+01  0.196698D+01 -0.116364D+01  0.183786D+01  0.153186D+01
      2  -0.578680D+01 -0.275804D+01  0.313924D+01 -0.275027D+01 -0.153263D+01
      3   0.245658D+00 -0.398638D+01 -0.564806D+00 -0.815316D+00 -0.283463D+01
                96            97            98            99           100 
      1  -0.514285D+00 -0.115120D+01 -0.295887D+00  0.700909D+00  0.259225D+01
      2   0.148097D+01  0.224434D+01  0.108070D+01 -0.157496D+01 -0.180495D+01
      3   0.335130D+00  0.431639D+00  0.135941D+01 -0.332498D+00 -0.594022D+01
               101           102           103           104           105 
      1  -0.253049D+01  0.419118D+01 -0.238818D+01  0.229861D+01 -0.372369D+01
      2   0.373868D+00  0.554901D+00  0.778582D+00 -0.419234D+00 -0.262953D+00
      3   0.478301D+01 -0.334373D+01  0.727352D+01 -0.524504D+01  0.294400D+01
               106           107           108           109           110 
      1   0.364659D+01 -0.271620D+01  0.439131D+01 -0.852011D+00  0.110634D+01
      2  -0.170321D+01  0.277385D+00 -0.298024D-02  0.630775D+00 -0.195240D-01
      3  -0.622838D+01  0.397393D+01 -0.426738D+01 -0.976582D+00  0.629592D+00
               111           112           113           114           115 
      1   0.313941D+01  0.120964D+01 -0.269076D+01 -0.355896D+01  0.336331D+01
      2  -0.228020D+00  0.191398D+00  0.223480D+00 -0.786093D-01 -0.257217D+01
      3   0.729113D+00  0.189689D+01 -0.149089D+01 -0.151128D+01  0.393587D+01
               116           117           118           119           120 
      1  -0.334356D+01 -0.125277D+02 -0.313561D+00  0.512695D+00  0.304795D+00
      2   0.216735D+00  0.918007D+00  0.759969D+01 -0.218197D+01  0.804362D+01
      3  -0.155817D+01 -0.367152D+01  0.628630D+01 -0.697849D+01  0.274298D+01
               121           122           123           124           125 
      1  -0.143192D+00 -0.502143D+00 -0.724932D+00 -0.209548D+00  0.148205D+01
      2  -0.230135D+01  0.245933D+01 -0.449648D+01  0.603961D+01 -0.310757D+01
      3  -0.465539D+01  0.359500D+01 -0.235136D+01  0.285900D+01 -0.433676D+01
               126           127           128           129           130 
      1   0.123937D+00  0.489093D+00 -0.350402D+00 -0.517858D+00 -0.931060D-01
      2   0.600677D+01 -0.246315D+01  0.149196D+00  0.384282D+01  0.280260D+00
      3   0.350702D+01  0.180567D+01 -0.191684D+01 -0.717845D+00 -0.108174D+01
               131           132           133           134           135 
      1   0.972701D+00 -0.129549D+00 -0.673432D+00  0.368776D+01  0.215085D+01
      2  -0.288115D+01 -0.476786D+01  0.338786D+01 -0.320177D+01 -0.207930D+02
      3   0.918804D+00  0.288008D+01 -0.540422D+00  0.480785D+01  0.425793D+01
               136           137           138           139           140 
      1  -0.351840D+00 -0.359613D+00 -0.647225D+00 -0.172721D+00 -0.176026D+01
      2   0.106043D+01 -0.169505D-01  0.143440D+01 -0.611748D-01  0.411583D+00
      3  -0.344019D+01 -0.303418D+01  0.260824D+00 -0.627113D+00 -0.240428D+02
               141           142           143           144           145 
      1  -0.253339D+01 -0.557567D+00  0.664529D+00  0.271075D+00  0.334773D+01
      2   0.320180D+01  0.616884D+00  0.186807D+01 -0.122507D+01  0.507651D+01
      3  -0.100230D+00  0.388465D+00 -0.613057D+00 -0.121691D+01  0.171714D+02
               146           147           148           149           150 
      1  -0.798009D-01 -0.374010D+01  0.510542D+00  0.109741D+01 -0.269842D+01
      2   0.117173D+01 -0.225361D+00  0.100255D+01  0.166451D+01 -0.340543D+00
      3   0.461793D+01 -0.497367D+01  0.622741D+01  0.485974D+01 -0.252645D+01
               151           152           153           154           155 
      1  -0.282147D+01 -0.993545D+00  0.188701D+01 -0.137169D+01  0.828488D-01
      2  -0.350304D+01 -0.141834D+01  0.958780D+00 -0.793239D+00  0.193674D+00
      3  -0.563297D+01 -0.239544D+01  0.412610D+01  0.188825D+01  0.714088D+00
               156           157           158           159           160 
      1   0.419631D-01  0.149439D+00 -0.307488D+01 -0.541784D+01  0.319048D+00
      2   0.671843D+00 -0.312919D+00 -0.149892D+01 -0.144970D+01 -0.246047D+01
      3   0.102148D+01  0.239815D+01  0.142012D+01  0.147492D+01  0.294183D+01
               161           162           163           164           165 
      1  -0.335395D+01 -0.148791D+02  0.338510D+01 -0.757667D+00  0.431639D+01
      2  -0.269691D+01 -0.631613D+01  0.320327D+00 -0.647870D+00  0.299872D+01
      3   0.338257D+01  0.285673D+01 -0.701853D+01  0.884757D-01 -0.302159D+01
               166           167           168           169           170 
      1  -0.118218D+01  0.152228D+01 -0.365260D+01  0.280720D+01 -0.163874D+01
      2   0.120112D+00  0.802352D+00 -0.194514D+01 -0.321792D+00 -0.181410D+01
      3   0.431087D+01 -0.718568D+00  0.592024D+00 -0.448571D+01 -0.482412D+00
               171 
      1   0.283140D+01
      2   0.188857D+01
      3  -0.929548D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.102024D+02  0.919057D+01 -0.841917D+01  0.611272D+01 -0.125628D+02
      2  -0.142196D+02 -0.131012D+01  0.350279D+01 -0.127226D+00  0.176096D+02
      3   0.401720D+01 -0.788045D+01  0.491639D+01 -0.598550D+01 -0.504681D+01
      4   0.733158D+01 -0.207098D+02  0.159813D+02 -0.177335D+02 -0.103629D+01
      5  -0.790212D+01  0.823033D+01 -0.559166D+01  0.576419D+01 -0.183311D+01
      6   0.196619D+02 -0.276613D+01  0.123874D+01 -0.203815D+01  0.303430D+01
                 6             7             8             9            10 
      1   0.122454D+01 -0.935459D+01  0.191690D+01  0.736510D+01 -0.138104D+02
      2   0.594114D+00  0.311591D+01  0.137428D+01 -0.108462D+02  0.100532D+02
      3  -0.181865D+01  0.623868D+01 -0.329118D+01  0.348105D+01  0.375720D+01
      4  -0.232526D+01  0.148614D+02 -0.431139D+01  0.874518D+01 -0.108810D+02
      5   0.668232D+01 -0.605619D+01  0.855966D+01  0.973631D+01  0.963005D+01
      6  -0.128303D+02  0.189418D+01 -0.175435D+02 -0.174038D+02 -0.348594D+01
                11            12            13            14            15 
      1  -0.120067D+02  0.754857D+01 -0.138924D+02  0.138694D+02  0.216198D+01
      2   0.575155D+01 -0.562575D+01  0.760453D+01 -0.141374D+02  0.128289D+01
      3   0.625512D+01 -0.192282D+01  0.628784D+01  0.267936D+00 -0.344487D+01
      4   0.675405D+01 -0.113458D+01  0.743608D+01  0.799802D+01  0.505182D-01
      5  -0.558617D+00  0.158236D+01 -0.773140D+00  0.183634D+00 -0.760417D+01
      6   0.951345D+00 -0.631856D+00  0.122995D+01 -0.270687D+00 -0.102106D+00
                16            17            18            19            20 
      1   0.125592D+02  0.161278D+01  0.781493D+01 -0.140308D+02 -0.565280D+01
      2  -0.579690D+01  0.308845D+01  0.694551D+01  0.121537D+02  0.665799D+01
      3  -0.676232D+01 -0.470123D+01 -0.147604D+02  0.187710D+01 -0.100518D+01
      4  -0.195340D+01  0.344759D+00 -0.724593D+01 -0.146696D+01  0.273782D+00
      5   0.773000D+01 -0.717882D+01 -0.194768D+02 -0.359393D+01 -0.576455D+00
      6  -0.926164D+00  0.505493D+01 -0.161629D+01 -0.767704D+00 -0.198627D+01
                21            22            23            24            25 
      1  -0.127679D+01  0.375169D+01  0.586404D+01  0.184447D+01 -0.330047D+01
      2  -0.686788D+00 -0.383383D+01 -0.156430D+02  0.172479D+01 -0.113889D+01
      3   0.196358D+01  0.821440D-01  0.977899D+01 -0.356926D+01  0.443936D+01
      4   0.192912D+00 -0.108133D+02 -0.389877D+01 -0.311792D+00  0.356742D+01
      5   0.128377D+01  0.677347D+00 -0.331764D+00  0.212892D+01 -0.488545D-01
      6   0.641908D+00  0.841772D-01  0.464810D+00 -0.179650D+01  0.138803D+01
                26            27            28            29            30 
      1   0.537353D+01  0.525143D+01  0.908411D+00  0.643593D+01 -0.948515D+00
      2  -0.371105D+01  0.102360D+02  0.501145D+01 -0.357468D+01 -0.407780D+01
      3  -0.166248D+01 -0.154875D+02 -0.591986D+01 -0.286125D+01  0.502632D+01
      4  -0.195367D+01  0.913249D+00  0.569104D+01 -0.179350D+01 -0.588341D+01
      5   0.187159D+01  0.209770D+01  0.577241D+01 -0.463398D+01 -0.159857D+02
      6   0.296354D+01  0.539951D+01 -0.257229D+01  0.688069D+00 -0.335576D+01
                31            32            33            34            35 
      1   0.854552D+01  0.194388D+01 -0.291874D+01  0.871833D+01 -0.171476D+01
      2  -0.483522D+01  0.107901D+00  0.457137D+01 -0.507275D+01 -0.424153D+01
      3  -0.371031D+01 -0.205178D+01 -0.165263D+01 -0.364558D+01  0.595630D+01
      4   0.396210D+01 -0.388799D+01 -0.816839D+00 -0.104782D+02  0.429712D+01
      5  -0.105627D+02  0.430141D+00 -0.462297D+01 -0.210035D+02 -0.123321D+01
      6  -0.138782D+01 -0.647626D+01  0.102110D+01 -0.307883D+01 -0.602339D+01
                36            37            38            39            40 
      1  -0.557175D+01 -0.163215D+02 -0.890120D+01  0.738788D+01 -0.114322D+02
      2   0.970558D+01  0.196830D+01  0.286807D+01 -0.514244D+01  0.370557D+01
      3  -0.413383D+01  0.143532D+02  0.603313D+01 -0.224544D+01  0.772664D+01
      4   0.802221D+00 -0.135856D+02 -0.314857D+01  0.344634D+01  0.129255D+01
      5   0.169377D+02  0.741495D+01  0.102657D+01  0.101010D+02  0.438479D+01
      6  -0.220806D+01  0.204360D+01  0.227693D+01  0.168591D+01  0.312802D+01
                41            42            43            44            45 
      1  -0.117814D+02 -0.222696D+01  0.133670D+02  0.126877D+01 -0.300645D+01
      2   0.124319D+02  0.150153D+01 -0.963990D+01  0.226984D+00 -0.886366D+01
      3  -0.650497D+00  0.725428D+00 -0.372713D+01 -0.149575D+01  0.118701D+02
      4   0.749269D+01  0.777042D+01  0.113157D+02  0.974558D+01  0.518645D+01
      5   0.711743D+01  0.535843D+01  0.174815D+02  0.814355D+01  0.211422D+02
      6   0.731981D+01  0.822177D+01  0.453707D+01  0.105669D+02  0.831857D+01
                46            47            48            49            50 
      1  -0.511431D+00  0.218197D+02 -0.218690D+02  0.246010D+02 -0.766384D+01
      2  -0.292958D+00 -0.136368D+02  0.108622D+02 -0.166045D+02 -0.145106D+01
      3   0.804390D+00 -0.818290D+01  0.110068D+02 -0.799656D+01  0.911490D+01
      4   0.214050D+02 -0.566880D+01  0.212167D+01 -0.104310D+02 -0.274174D+02
      5  -0.238108D+02  0.289966D+01 -0.116246D+02  0.365269D+01 -0.424738D+01
      6   0.163459D+00  0.169938D+00  0.842280D+00 -0.735931D+00 -0.479890D+00
                51            52            53            54            55 
      1   0.550918D+01 -0.284349D+02  0.407165D+01 -0.965283D+01  0.162889D+02
      2  -0.677572D+00  0.122524D+02 -0.180642D+00  0.140031D+02 -0.136213D+02
      3  -0.483161D+01  0.161825D+02 -0.389101D+01 -0.435024D+01 -0.266763D+01
      4  -0.244854D+01  0.303687D+01 -0.155232D+01  0.137281D+02  0.695397D+01
      5   0.158171D+02 -0.192922D+02  0.145177D+02  0.277361D+02 -0.108996D+01
      6   0.812537D+00  0.166931D+01 -0.135860D+01 -0.149495D+01  0.633681D+01
                56            57            58            59            60 
      1  -0.677003D+01  0.742994D+00 -0.723398D+01 -0.153871D+02 -0.970832D+00
      2   0.109576D+02 -0.140782D+01  0.133428D+02  0.296694D+02  0.244305D+01
      3  -0.418758D+01  0.664823D+00 -0.610884D+01 -0.142823D+02 -0.147221D+01
      4  -0.553800D+01  0.484656D+01  0.386197D+01  0.158160D+02 -0.302360D+01
      5   0.213869D+01  0.129277D+01  0.188203D+01 -0.206092D+01  0.197242D+01
      6  -0.452240D+01  0.126875D+02 -0.479766D+01  0.402254D+01 -0.801426D+00
                61            62            63            64            65 
      1   0.278366D+01  0.466581D+00  0.358873D+01  0.258004D+02 -0.217893D+01
      2  -0.236467D+01  0.314484D+01 -0.589537D+01 -0.190684D+02 -0.517706D+00
      3  -0.418991D+00 -0.361142D+01  0.230663D+01 -0.673205D+01  0.269663D+01
      4   0.497588D+01 -0.295332D+01  0.117589D+02 -0.746615D+01  0.105363D+02
      5   0.357539D+01  0.404931D+01 -0.156115D+01 -0.205359D+02  0.484326D+01
      6   0.145525D+02 -0.382416D+01 -0.126207D+02  0.171140D+01 -0.314788D+01
                66            67            68            69            70 
      1  -0.929638D+01 -0.585591D+01 -0.125835D+01  0.798805D+00 -0.128157D+02
      2   0.116887D+02  0.416384D+01  0.352272D+01 -0.856744D+00  0.141071D+02
      3  -0.239236D+01  0.169207D+01 -0.226437D+01  0.579391D-01 -0.129141D+01
      4   0.539538D+01  0.106884D+02 -0.565471D+01 -0.859606D+01  0.469056D+01
      5   0.230236D+02  0.432155D+01 -0.100005D+02 -0.253264D+01  0.259832D+02
      6  -0.149567D+00 -0.339107D+01  0.248178D+01  0.814141D+01 -0.183235D+01
                71            72            73            74            75 
      1  -0.188273D+01 -0.274664D+01  0.826378D+00  0.131661D+00  0.865291D+00
      2   0.367652D+01 -0.205406D+02 -0.409605D+01  0.737232D-01  0.106463D+01
      3  -0.179378D+01  0.232873D+02  0.326967D+01 -0.205384D+00 -0.192992D+01
      4  -0.976288D+01 -0.714091D+01  0.351586D+00  0.146400D+01 -0.604733D+00
      5  -0.447861D+01 -0.399518D+02 -0.129039D+01  0.170078D+00  0.547835D+01
      6   0.859680D+01  0.478600D+00 -0.848358D+00 -0.717480D+00  0.381512D+00
                76            77            78            79            80 
      1   0.432515D+00 -0.363934D+01 -0.759447D+00  0.251755D+00  0.663619D+00
      2   0.572278D-01  0.788316D+00 -0.195228D+01  0.133691D+01 -0.289601D+01
      3  -0.489743D+00  0.285102D+01  0.271173D+01 -0.158866D+01  0.223239D+01
      4   0.169449D+01 -0.222798D+00 -0.401760D+00 -0.681070D+00 -0.252367D-01
      5   0.180265D+00 -0.776123D+00 -0.826294D+00  0.412490D+01  0.961532D-01
      6  -0.264856D+00  0.332779D+00  0.522480D+01 -0.810227D-02  0.383633D+01
                81            82            83            84            85 
      1  -0.157417D+02  0.183070D+01  0.229058D+01  0.233818D+01  0.292165D+01
      2  -0.149898D+02 -0.432052D+01 -0.932795D+00 -0.616214D+00 -0.168488D+01
      3   0.307315D+02  0.248982D+01 -0.135779D+01 -0.172196D+01 -0.123677D+01
      4   0.670566D+00  0.204873D+01  0.772796D+00  0.529133D+00  0.119053D+01
      5  -0.166392D+01  0.131866D+01  0.742225D+00  0.541792D+01  0.332136D+00
      6  -0.556811D+01  0.787099D+00 -0.292453D+00 -0.471920D+00  0.114360D+00
                86            87            88            89            90 
      1  -0.540684D+01 -0.271091D+01  0.359211D+01 -0.173601D+01 -0.164539D+02
      2   0.162647D+01 -0.154100D+01 -0.208984D+01 -0.329719D+01 -0.152230D+02
      3   0.378037D+01  0.425191D+01 -0.150227D+01  0.503320D+01  0.316770D+02
      4   0.678530D+00  0.301751D+01  0.720106D+00  0.351098D+01  0.374106D+01
      5   0.343637D+01  0.369920D+01  0.345728D+01  0.338949D+01  0.186579D+02
      6   0.310847D+01  0.723661D+01  0.180475D+00  0.441862D+01  0.301088D+01
                91            92            93            94            95 
      1   0.409754D+02  0.152332D+02  0.757151D+00  0.944982D+01  0.650995D+01
      2  -0.172951D+02 -0.479684D+01 -0.131049D+01 -0.145550D+01  0.753606D+00
      3  -0.236803D+02 -0.104364D+02  0.553335D+00 -0.799431D+01 -0.726356D+01
      4   0.240244D+02  0.149123D+02  0.151577D+01  0.143440D+02  0.116904D+02
      5   0.754878D+01  0.343853D+01  0.576601D+01  0.220058D+01  0.220481D+01
      6   0.163188D+01  0.172874D+01  0.166407D+01  0.138204D+01  0.116585D+01
                96            97            98            99           100 
      1   0.556375D+00 -0.107529D+02 -0.446356D+01  0.266871D+01 -0.285578D+01
      2  -0.806477D+00  0.326198D+01  0.527359D+00 -0.113193D+01  0.760862D+01
      3   0.250103D+00  0.749091D+01  0.393620D+01 -0.153678D+01 -0.475283D+01
      4   0.611503D+00 -0.733353D+01 -0.477472D+01  0.276437D+01 -0.101571D+02
      5   0.250270D+01  0.424636D+01  0.184006D+01 -0.322681D+00  0.370974D+01
      6   0.178834D+01  0.218563D+01  0.171607D+01 -0.457835D+00 -0.762715D+01
               101           102           103           104           105 
      1   0.761442D+01 -0.307236D+01  0.520821D+01 -0.120178D+02  0.439049D+01
      2  -0.136709D+02  0.456706D+01 -0.988452D+01  0.205654D+02 -0.690462D+01
      3   0.605652D+01 -0.149470D+01  0.467631D+01 -0.854754D+01  0.251413D+01
      4   0.144983D+02 -0.684050D+01  0.122328D+02 -0.121068D+02  0.559616D+01
      5  -0.375606D+01  0.426021D+01 -0.212021D+01  0.331649D+01 -0.191451D+01
      6   0.939410D+01 -0.852632D+01  0.709531D+01 -0.105020D+02  0.881330D+01
               106           107           108           109           110 
      1  -0.414461D+01  0.786049D+01 -0.660095D+01 -0.198662D+01  0.241438D+01
      2   0.482973D+01 -0.993658D+01  0.506214D+01  0.248539D+01 -0.365763D+01
      3  -0.685124D+00  0.207609D+01  0.153882D+01 -0.498778D+00  0.124325D+01
      4  -0.862875D+01  0.787830D+01 -0.724203D+01 -0.103846D+01  0.459255D+01
      5   0.408798D+01 -0.339069D+01  0.381974D+01 -0.110337D+01  0.391688D+00
      6  -0.880409D+01  0.124486D+02 -0.112503D+02  0.104035D+01 -0.359970D+01
               111           112           113           114           115 
      1   0.174691D+01  0.947403D+00 -0.477810D+01 -0.277530D+01  0.125778D+01
      2  -0.219952D+01 -0.173177D+01  0.675134D+01  0.383691D+01 -0.162591D+01
      3   0.452609D+00  0.784362D+00 -0.197324D+01 -0.106160D+01  0.368129D+00
      4   0.106695D+01  0.422926D+01 -0.216336D+01 -0.247508D+01  0.454883D+01
      5   0.212158D+01  0.142781D+00 -0.107282D+01 -0.856723D+00  0.163045D+01
      6  -0.489335D+01 -0.299717D+01  0.458071D+01  0.796464D+01 -0.548120D+01
               116           117           118           119           120 
      1  -0.832874D+01 -0.892768D+01  0.559615D+02 -0.117205D+02  0.172728D+02
      2   0.989984D+01  0.383457D+01 -0.300478D+02  0.571663D+01 -0.993440D+01
      3  -0.157110D+01  0.509311D+01 -0.259137D+02  0.600391D+01 -0.733838D+01
      4  -0.322151D+01 -0.402812D+01 -0.122019D+02  0.109992D+02 -0.386281D+01
      5  -0.116805D+01 -0.185485D+01  0.201445D+02 -0.445571D+01  0.153680D+02
      6   0.110449D+02  0.223472D+02 -0.268893D+00  0.531216D+00 -0.196071D+00
               121           122           123           124           125 
      1  -0.208880D+02  0.887908D+01 -0.458503D+01  0.264850D+02 -0.391610D+01
      2   0.107710D+02 -0.240843D+01  0.219358D+01 -0.157639D+02  0.203680D+01
      3   0.101170D+02 -0.647065D+01  0.239144D+01 -0.107211D+02  0.187930D+01
      4   0.137558D+02 -0.723883D+01  0.544387D+01 -0.515711D+01  0.707653D+01
      5  -0.650569D+01  0.568299D+01 -0.811296D+01  0.200302D+02 -0.647005D+01
      6   0.140843D+01 -0.158495D+01  0.200774D+01 -0.962674D+00  0.230739D+01
               126           127           128           129           130 
      1   0.121385D+02  0.743072D+01 -0.335995D+01 -0.538791D+01 -0.695540D+01
      2  -0.107783D+02 -0.660388D+01  0.226269D+01  0.465739D+01  0.457411D+01
      3  -0.136024D+01 -0.826840D+00  0.109726D+01  0.730526D+00  0.238129D+01
      4  -0.573504D+01 -0.322730D+01  0.292562D+01  0.107128D+01  0.502837D+01
      5   0.139114D+02 -0.662908D+01  0.139933D+01  0.112781D+02  0.370739D+01
      6  -0.110545D+01  0.921148D+00 -0.102999D+00  0.528607D-01 -0.178141D+01
               131           132           133           134           135 
      1   0.468416D+00 -0.344967D+00 -0.106835D+02 -0.109913D+01  0.109209D+01
      2  -0.464313D+00 -0.210571D+01  0.104045D+02 -0.102204D+01 -0.180412D+02
      3  -0.410313D-02  0.245068D+01  0.279042D+00  0.212118D+01  0.169491D+02
      4  -0.179288D+01 -0.636785D+01  0.133519D+01 -0.808843D+01 -0.669007D+01
      5  -0.594438D+01 -0.933567D+01  0.197274D+02 -0.645603D+01 -0.416390D+02
      6   0.266235D+01  0.471484D+01 -0.114057D+01  0.495375D+01  0.215579D+01
               136           137           138           139           140 
      1   0.369102D+01  0.478801D+01  0.223408D+01  0.130194D+02  0.160953D+01
      2   0.114140D+01  0.232059D+00 -0.125505D+01 -0.383941D+01  0.132346D+02
      3  -0.483241D+01 -0.502007D+01 -0.979025D+00 -0.917998D+01 -0.148441D+02
      4   0.692451D+01  0.122885D+02 -0.296282D+00  0.167284D+02  0.414848D+02
      5   0.196496D+01 -0.547607D+00  0.287140D+01 -0.116692D+01  0.135511D+01
      6  -0.316434D+00 -0.673172D+00  0.961095D+00  0.981450D-01 -0.992498D+00
               141           142           143           144           145 
      1  -0.900302D+00  0.376128D+01 -0.531276D+00  0.991028D+00 -0.772498D+01
      2   0.757685D+00 -0.172028D+01  0.458364D+00 -0.114214D+01  0.800669D+01
      3   0.142617D+00 -0.204100D+01  0.729124D-01  0.151112D+00 -0.281714D+00
      4   0.233375D+00  0.937113D-01  0.892585D+00  0.331476D+01  0.161917D+02
      5   0.570119D+01  0.529898D+01  0.397661D+01 -0.233569D+01 -0.301905D+01
      6   0.412740D+01  0.108290D+01  0.513032D+01  0.519274D+00 -0.941065D+01
               146           147           148           149           150 
      1  -0.123180D+02  0.601863D+01 -0.794673D+01 -0.880443D+01  0.409032D+01
      2   0.147099D+02 -0.352448D+01  0.991023D+01  0.121153D+02 -0.444145D+01
      3  -0.239187D+01 -0.249415D+01 -0.196349D+01 -0.331089D+01  0.351138D+00
      4   0.821887D+01 -0.644717D+01  0.835299D+01  0.578471D+01 -0.234142D+01
      5  -0.213992D+01  0.272473D+01 -0.130661D+01 -0.103846D+01 -0.241586D-01
      6  -0.663089D+01  0.788963D+01 -0.492222D+01 -0.613138D+01  0.675723D+01
               151           152           153           154           155 
      1   0.620095D+01  0.625164D+01 -0.758231D+01 -0.120698D+01 -0.224650D+01
      2  -0.316528D+01 -0.652968D+01  0.367440D+01  0.167284D+01  0.812174D+00
      3  -0.303566D+01  0.278045D+00  0.390791D+01 -0.465856D+00  0.143432D+01
      4  -0.691140D+01 -0.166335D+01  0.276270D+01 -0.173002D+01  0.573837D+01
      5   0.337120D+01 -0.507867D+00 -0.221971D+01 -0.133869D+01  0.537621D+00
      6   0.639461D+01  0.894224D+01 -0.609342D+01  0.206016D+01  0.665647D-01
               156           157           158           159           160 
      1  -0.144478D+01 -0.109857D+01 -0.667559D+01 -0.559230D+01 -0.215666D+01
      2   0.828624D+00  0.882157D-02  0.913770D+01  0.745498D+01  0.101619D+01
      3   0.616151D+00  0.108975D+01 -0.246211D+01 -0.186269D+01  0.114046D+01
      4   0.217132D+01  0.444277D+01 -0.378331D+01 -0.274420D+01  0.440554D+01
      5   0.406670D+01 -0.903118D-01 -0.290970D+01 -0.321341D+01  0.454306D+01
      6  -0.389583D+00 -0.112785D+00  0.881577D+01  0.124344D+02 -0.119519D+01
               161           162           163           164           165 
      1  -0.996471D+01 -0.113764D+02  0.125399D+02 -0.187436D+01  0.288390D+01
      2   0.124858D+02  0.427024D+01  0.460322D+00 -0.938964D+01 -0.431405D+00
      3  -0.252110D+01  0.710615D+01 -0.130002D+02  0.112640D+02 -0.245249D+01
      4  -0.630741D+01 -0.607274D+01 -0.270008D+02  0.240609D+02 -0.114796D+02
      5  -0.599681D+01 -0.128038D+02  0.113703D+02 -0.736008D+01  0.942207D+01
      6   0.161622D+02  0.282201D+02 -0.110604D+02  0.863247D+01 -0.943110D+01
               166           167           168           169           170 
      1  -0.113149D+01 -0.328658D+01  0.201561D+01  0.362551D+01  0.295804D+01
      2  -0.725191D+01  0.140257D+02 -0.468899D+01 -0.987064D+00 -0.629754D+01
      3   0.838340D+01 -0.107391D+02  0.267337D+01 -0.263844D+01  0.333950D+01
      4   0.182429D+02 -0.195749D+02  0.769013D+01 -0.124076D+02  0.108684D+02
      5  -0.472016D+01  0.648822D+01 -0.481881D+01  0.961839D+01 -0.739688D+01
      6   0.644974D+01 -0.976193D+01  0.912079D+01 -0.828846D+01  0.117840D+02
               171 
      1  -0.182101D+01
      2   0.114960D+01
      3   0.671413D+00
      4  -0.102327D+02
      5   0.835151D+01
      6  -0.884148D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Sep 26 20:25:28 2021, MaxMem=  6442450944 cpu:           23586.7 elap:            2949.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.53274 -19.47744 -14.61191 -10.58146 -10.48299
 Alpha  occ. eigenvalues --  -10.44837 -10.42887 -10.42058  -1.26406  -1.16398
 Alpha  occ. eigenvalues --   -1.04452  -0.94186  -0.84825  -0.82133  -0.75304
 Alpha  occ. eigenvalues --   -0.69513  -0.64751  -0.62378  -0.60879  -0.60001
 Alpha  occ. eigenvalues --   -0.57744  -0.54198  -0.53927  -0.50657  -0.50178
 Alpha  occ. eigenvalues --   -0.49299  -0.45892  -0.44346  -0.44060  -0.43271
 Alpha  occ. eigenvalues --   -0.41160  -0.36208
 Alpha virt. eigenvalues --   -0.01210  -0.00197  -0.00159   0.00356   0.01643
 Alpha virt. eigenvalues --    0.02266   0.02381   0.02759   0.03379   0.04584
 Alpha virt. eigenvalues --    0.05422   0.05874   0.07383   0.07656   0.08597
 Alpha virt. eigenvalues --    0.09339   0.09824   0.10938   0.11161   0.11914
 Alpha virt. eigenvalues --    0.12308   0.12691   0.13050   0.13592   0.14149
 Alpha virt. eigenvalues --    0.14943   0.15241   0.15746   0.16710   0.17101
 Alpha virt. eigenvalues --    0.17232   0.19308   0.19501   0.20185   0.21022
 Alpha virt. eigenvalues --    0.22139   0.22934   0.24181   0.24576   0.26292
 Alpha virt. eigenvalues --    0.26431   0.27078   0.27351   0.28256   0.29187
 Alpha virt. eigenvalues --    0.29645   0.30332   0.31023   0.31324   0.31566
 Alpha virt. eigenvalues --    0.32196   0.34110   0.34624   0.35620   0.36951
 Alpha virt. eigenvalues --    0.37921   0.38401   0.39177   0.39944   0.40435
 Alpha virt. eigenvalues --    0.40622   0.41481   0.42337   0.43104   0.43163
 Alpha virt. eigenvalues --    0.43998   0.44652   0.44940   0.45483   0.46625
 Alpha virt. eigenvalues --    0.46801   0.47437   0.49014   0.49876   0.50931
 Alpha virt. eigenvalues --    0.51334   0.51883   0.52942   0.53482   0.53908
 Alpha virt. eigenvalues --    0.54358   0.55523   0.55691   0.56139   0.56629
 Alpha virt. eigenvalues --    0.57822   0.58759   0.59295   0.59835   0.61001
 Alpha virt. eigenvalues --    0.63152   0.63837   0.64093   0.65618   0.65918
 Alpha virt. eigenvalues --    0.66874   0.67387   0.68998   0.69325   0.70363
 Alpha virt. eigenvalues --    0.71615   0.72921   0.73054   0.73418   0.74375
 Alpha virt. eigenvalues --    0.75315   0.76306   0.77353   0.77669   0.80108
 Alpha virt. eigenvalues --    0.80943   0.81367   0.82897   0.83632   0.84664
 Alpha virt. eigenvalues --    0.85275   0.86309   0.86988   0.88992   0.89767
 Alpha virt. eigenvalues --    0.89858   0.93018   0.93280   0.95262   0.96557
 Alpha virt. eigenvalues --    0.98745   1.00421   1.01577   1.02296   1.03441
 Alpha virt. eigenvalues --    1.05626   1.06336   1.07380   1.08577   1.09494
 Alpha virt. eigenvalues --    1.12743   1.15897   1.16305   1.17308   1.17764
 Alpha virt. eigenvalues --    1.18870   1.20398   1.22271   1.22605   1.24568
 Alpha virt. eigenvalues --    1.25494   1.27776   1.30970   1.32321   1.35075
 Alpha virt. eigenvalues --    1.36438   1.39635   1.42174   1.43242   1.45472
 Alpha virt. eigenvalues --    1.48435   1.51357   1.52320   1.55607   1.57840
 Alpha virt. eigenvalues --    1.60761   1.61844   1.62417   1.65109   1.65419
 Alpha virt. eigenvalues --    1.68205   1.69966   1.71141   1.74559   1.75558
 Alpha virt. eigenvalues --    1.78110   1.78577   1.79297   1.81633   1.83108
 Alpha virt. eigenvalues --    1.86563   1.87702   1.88650   1.90760   1.91726
 Alpha virt. eigenvalues --    1.92023   1.94826   1.96839   1.97527   1.99042
 Alpha virt. eigenvalues --    1.99622   2.01880   2.02647   2.03842   2.06609
 Alpha virt. eigenvalues --    2.07769   2.09639   2.10523   2.12020   2.13898
 Alpha virt. eigenvalues --    2.15229   2.17160   2.17745   2.20181   2.21637
 Alpha virt. eigenvalues --    2.24607   2.25384   2.26602   2.27677   2.29056
 Alpha virt. eigenvalues --    2.31587   2.33004   2.34054   2.37206   2.40026
 Alpha virt. eigenvalues --    2.41105   2.43738   2.47912   2.49521   2.51020
 Alpha virt. eigenvalues --    2.53516   2.55161   2.56650   2.60259   2.60856
 Alpha virt. eigenvalues --    2.63322   2.65541   2.67329   2.70550   2.71181
 Alpha virt. eigenvalues --    2.74769   2.76220   2.80631   2.81995   2.86913
 Alpha virt. eigenvalues --    2.90537   2.93794   2.94901   3.03697   3.09725
 Alpha virt. eigenvalues --    3.12415   3.16651   3.32024   3.39278   3.41640
 Alpha virt. eigenvalues --    3.43793   3.46689   3.48025   3.50414   3.53821
 Alpha virt. eigenvalues --    3.54355   3.59610   3.67542   3.79517   3.96133
 Alpha virt. eigenvalues --    4.04905
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.167867  -0.599607  -0.315099  -0.060924   0.011218  -0.094959
     2  C   -0.599607  10.636661  -1.821737   0.296665   0.004106  -0.488337
     3  C   -0.315099  -1.821737  12.075511  -3.163740  -0.040910   0.185229
     4  C   -0.060924   0.296665  -3.163740   8.091325   0.210146  -0.162280
     5  O    0.011218   0.004106  -0.040910   0.210146   7.899549   0.007463
     6  C   -0.094959  -0.488337   0.185229  -0.162280   0.007463   5.088146
     7  N    0.096768  -0.313261  -0.275270   0.265696   0.006484  -0.010292
     8  O    0.006742  -0.059456   0.097726   0.544712  -0.018992   0.011067
     9  H    0.087011   0.152229  -1.597795   0.247541  -0.080297  -0.062425
    10  H    0.180181  -2.024710   0.245676   0.037122  -0.004948   0.055790
    11  H   -0.001272  -0.017237   0.089126  -0.133415   0.308147   0.002311
    12  H   -0.001824   0.017514   0.134963  -0.081442   0.005662   0.005131
    13  H   -0.002787   0.087187  -0.091328  -0.103934  -0.010242  -0.005047
    14  H    0.073079   0.118800  -0.027708  -0.005082   0.000779   0.111461
    15  H   -0.066489  -0.319871   0.159703  -0.027089  -0.001201   0.349916
    16  H   -0.054775   0.386375  -0.099343   0.014244  -0.000096   0.115780
    17  H    0.230801   0.205259   0.106311  -0.037743  -0.025413  -0.098011
    18  H    0.316089  -0.095893  -0.276698   0.131018  -0.000077  -0.071639
    19  H    0.043797   0.090554   0.018936  -0.032700   0.002142   0.101450
               7          8          9         10         11         12
     1  C    0.096768   0.006742   0.087011   0.180181  -0.001272  -0.001824
     2  C   -0.313261  -0.059456   0.152229  -2.024710  -0.017237   0.017514
     3  C   -0.275270   0.097726  -1.597795   0.245676   0.089126   0.134963
     4  C    0.265696   0.544712   0.247541   0.037122  -0.133415  -0.081442
     5  O    0.006484  -0.018992  -0.080297  -0.004948   0.308147   0.005662
     6  C   -0.010292   0.011067  -0.062425   0.055790   0.002311   0.005131
     7  N    6.413259  -0.011920   0.225695   0.043137  -0.002257   0.130114
     8  O   -0.011920   7.738763  -0.051878   0.006624  -0.032736   0.005207
     9  H    0.225695  -0.051878   2.492682   0.097099   0.013993  -0.090415
    10  H    0.043137   0.006624   0.097099   3.101306   0.001163   0.018989
    11  H   -0.002257  -0.032736   0.013993   0.001163   0.567139  -0.000439
    12  H    0.130114   0.005207  -0.090415   0.018989  -0.000439   1.019433
    13  H    0.305149  -0.021040   0.068419  -0.025483  -0.000245  -0.140016
    14  H    0.046334  -0.000553   0.001505  -0.132394  -0.000367   0.002361
    15  H    0.013831   0.000693  -0.044083   0.127883   0.000288   0.000966
    16  H   -0.089336   0.002397   0.008917  -0.078114   0.000682   0.000586
    17  H   -0.001319   0.013684   0.006093  -0.095491   0.001025  -0.004223
    18  H    0.019861  -0.010088   0.036974   0.117238   0.003158   0.002540
    19  H   -0.007077   0.002128   0.001310  -0.041626   0.000811   0.000500
              13         14         15         16         17         18
     1  C   -0.002787   0.073079  -0.066489  -0.054775   0.230801   0.316089
     2  C    0.087187   0.118800  -0.319871   0.386375   0.205259  -0.095893
     3  C   -0.091328  -0.027708   0.159703  -0.099343   0.106311  -0.276698
     4  C   -0.103934  -0.005082  -0.027089   0.014244  -0.037743   0.131018
     5  O   -0.010242   0.000779  -0.001201  -0.000096  -0.025413  -0.000077
     6  C   -0.005047   0.111461   0.349916   0.115780  -0.098011  -0.071639
     7  N    0.305149   0.046334   0.013831  -0.089336  -0.001319   0.019861
     8  O   -0.021040  -0.000553   0.000693   0.002397   0.013684  -0.010088
     9  H    0.068419   0.001505  -0.044083   0.008917   0.006093   0.036974
    10  H   -0.025483  -0.132394   0.127883  -0.078114  -0.095491   0.117238
    11  H   -0.000245  -0.000367   0.000288   0.000682   0.001025   0.003158
    12  H   -0.140016   0.002361   0.000966   0.000586  -0.004223   0.002540
    13  H    0.932639   0.000400  -0.001093  -0.005289   0.004600  -0.001189
    14  H    0.000400   1.766638  -0.360646  -0.433598   0.019099  -0.015329
    15  H   -0.001093  -0.360646   1.722135  -0.383371   0.002172  -0.009998
    16  H   -0.005289  -0.433598  -0.383371   1.767797  -0.017673   0.000620
    17  H    0.004600   0.019099   0.002172  -0.017673   1.633450  -0.311601
    18  H   -0.001189  -0.015329  -0.009998   0.000620  -0.311601   1.719461
    19  H   -0.002275  -0.026807  -0.020309   0.026496  -0.453365  -0.377227
              19
     1  C    0.043797
     2  C    0.090554
     3  C    0.018936
     4  C   -0.032700
     5  O    0.002142
     6  C    0.101450
     7  N   -0.007077
     8  O    0.002128
     9  H    0.001310
    10  H   -0.041626
    11  H    0.000811
    12  H    0.000500
    13  H   -0.002275
    14  H   -0.026807
    15  H   -0.020309
    16  H    0.026496
    17  H   -0.453365
    18  H   -0.377227
    19  H    1.821061
 Mulliken charges:
               1
     1  C    0.984182
     2  C   -0.255241
     3  C    0.596445
     4  C   -0.030120
     5  O   -0.273517
     6  C    0.959246
     7  N    0.144403
     8  O   -0.223080
     9  H   -0.512577
    10  H   -0.629442
    11  H    0.200123
    12  H   -0.025608
    13  H    0.011574
    14  H   -0.137973
    15  H   -0.143438
    16  H   -0.162300
    17  H   -0.177655
    18  H   -0.177221
    19  H   -0.147801
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.481505
     2  C   -0.884683
     3  C    0.083868
     4  C   -0.030120
     5  O   -0.073394
     6  C    0.515535
     7  N    0.130369
     8  O   -0.223080
 Electronic spatial extent (au):  <R**2>=           1058.8419
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.3271    Y=             -0.7383    Z=             -1.0987  Tot=              1.3635
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -48.6256   YY=            -48.6786   ZZ=            -52.2777
   XY=             -0.4250   XZ=              4.3117   YZ=             -0.9973
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.2351   YY=              1.1820   ZZ=             -2.4171
   XY=             -0.4250   XZ=              4.3117   YZ=             -0.9973
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -29.2344  YYY=              2.8482  ZZZ=             -2.5325  XYY=            -17.6103
  XXY=            -13.4914  XXZ=             -7.8336  XZZ=              3.3873  YZZ=              3.5517
  YYZ=              1.5079  XYZ=              2.4783
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -725.5462 YYYY=           -424.2675 ZZZZ=           -172.1267 XXXY=             38.8132
 XXXZ=             34.2259 YYYX=            -11.1708 YYYZ=              3.1507 ZZZX=              3.3353
 ZZZY=              2.2008 XXYY=           -188.9286 XXZZ=           -171.8463 YYZZ=            -93.6091
 XXYZ=             -0.5864 YYXZ=              6.7336 ZZXY=             -2.1160
 N-N= 4.071252170652D+02 E-N=-1.752865172942D+03  KE= 3.994051016264D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Sep 26 20:25:29 2021, MaxMem=  6442450944 cpu:               3.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.56034518D-01-2.39542537D-01-4.12141700D-01
 Polarizability= 8.26560838D+01 2.25054482D+00 7.56861279D+01
                -8.72644630D-01 1.77830684D+00 6.74213435D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.7328    0.7195        1.0943    1.0835
 2     -0.7328   -0.7195       -0.8997   -0.8948       -3.6636   -3.6643
 3     -1.0943   -1.0835        7.8261    7.8245        0.8981    0.8948
 4      0.8997    0.8948       -0.0000    0.0000       -1.0893   -1.0835
 5     -4.1625   -4.1601        1.0893    1.0835        0.7260    0.7195
 6     -0.8980   -0.8948       -0.7260   -0.7195        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.1584   -2.1584        3.2506    3.2506
 2      2.6843    2.6843       -0.0000    0.0000        3.2506    3.2506
 3      2.6843    2.6843       -2.1584   -2.1584       -0.0000    0.0000
 4     -2.1584   -2.1584       -2.6843   -2.6843      -10.9930  -10.9930
 5     -3.2506   -3.2506       23.4734   23.4734        2.6843    2.6843
 6    -12.4804  -12.4804        3.2506    3.2506        2.1584    2.1584
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2134    0.0000       -2.6240   -2.8778       -4.3112   -4.3342
 2      2.9892    2.8778        3.6505    3.5791       14.5703   14.6573
 3      4.5323    4.3342      -31.2807  -31.2979       -3.3465   -3.5791
 4     -3.5562   -3.5791        0.0122    0.0000        4.3894    4.3342
 5     16.8495   16.6405       -4.4930   -4.3342       -2.9488   -2.8778
 6      3.3576    3.5791        2.8909    2.8778       -0.0507    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3201    0.0000        7.7974    7.6817       -3.1074   -2.8707
 2     -7.6292   -7.6817      -11.4863  -12.5906        7.7321    7.6941
 3      2.6300    2.8707       14.6183   13.5120       12.8457   12.5906
 4     12.7034   12.5906       -0.2254    0.0000        2.6162    2.8707
 5    -21.6786  -21.2061       -3.1926   -2.8707        7.8778    7.6817
 6    -12.4412  -12.5906       -7.6442   -7.6817        0.5438    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     10.0393    9.6481       13.4123   13.9777       10.3748   10.0983
 2     28.1324   28.0349       22.3209   22.8522        9.5907   10.0983
 3     28.4859   28.0349       13.1135   13.9777       11.2464   11.4115
 4     -9.1677   -8.8745      -17.4294  -18.3868       21.3336   21.1462
 5      0.7361    1.3132       26.1921   24.9459       18.6663   18.3868
 6    -46.7297  -46.0921       -1.8006   -1.3132        8.8402    8.8745
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.3794    0.0006    0.0008    0.0011    2.6017    8.7131
 Low frequencies ---   54.4810   70.6690  171.4385
 Diagonal vibrational polarizability:
       17.2776292      27.3926327      20.6055847
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     54.4795                70.6665               171.4385
 Red. masses --      6.5147                 3.0470                 3.8911
 Frc consts  --      0.0114                 0.0090                 0.0674
 IR Inten    --      1.6994                 0.3316                 0.0549
 RamAct Fr= 1--      1.1180                 0.2185                 0.4460
  Dep-P Fr= 1--      0.7485                 0.7485                 0.5847
  Dep-U Fr= 1--      0.8561                 0.8562                 0.7379
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0014
 Beta2  Fr= 1--      0.1595                 0.0312                 0.0549
 AlphaG Fr= 1--      0.0001                -0.0001                -0.0007
 Gamma2 Fr= 1--      0.2024                 0.0067                 0.0716
 Delta2 Fr= 1--      0.2165                 0.0703                 0.0344
 Raman1 Fr= 1--       4.472                  0.874                  1.784
 ROA1   Fr= 1--      26.360                  2.891                  7.971
 CID1   Fr= 1--       5.894                  3.308                  4.468
 Raman2 Fr= 1--       1.914                  0.374                  0.658
 ROA2   Fr= 1--       3.126                 -0.402                  1.443
 CID2   Fr= 1--       1.633                 -1.076                  2.192
 Raman3 Fr= 1--       3.829                  0.748                  1.317
 ROA3   Fr= 1--      26.360                  2.891                  7.971
 CID3   Fr= 1--       6.885                  3.863                  6.055
 RC180  Fr= 1--       0.712                  0.712                  0.476
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.01   0.06    -0.07   0.05   0.23     0.26  -0.07   0.07
     2   6    -0.00   0.02   0.05     0.03   0.05   0.01     0.09  -0.05   0.02
     3   6     0.01  -0.09  -0.06     0.01   0.04   0.03     0.01  -0.13   0.07
     4   6     0.01  -0.04   0.01     0.02  -0.02  -0.03    -0.07   0.00   0.01
     5   8    -0.24   0.28  -0.12     0.04   0.07  -0.12    -0.13   0.10  -0.05
     6   6     0.02   0.06   0.15    -0.00  -0.08  -0.20     0.01   0.08  -0.11
     7   7    -0.04  -0.04  -0.24    -0.03   0.03   0.10     0.01  -0.12   0.07
     8   8     0.21  -0.24   0.15     0.01  -0.14  -0.01    -0.16   0.13  -0.06
     9   1     0.02  -0.20  -0.04     0.03   0.10   0.02    -0.00  -0.12   0.07
    10   1    -0.11   0.04   0.04     0.16   0.20  -0.02     0.15  -0.04   0.03
    11   1    -0.24   0.32  -0.08     0.04   0.02  -0.16    -0.23   0.28  -0.14
    12   1    -0.07  -0.14  -0.29    -0.02   0.05   0.11     0.01  -0.12   0.07
    13   1     0.01   0.07  -0.25    -0.05  -0.02   0.10    -0.00  -0.13   0.07
    14   1    -0.01   0.09   0.22     0.05   0.01  -0.20     0.11   0.12  -0.23
    15   1     0.11   0.07   0.17    -0.11  -0.28  -0.16    -0.10   0.14  -0.14
    16   1    -0.02   0.07   0.16     0.03  -0.08  -0.41    -0.07   0.09  -0.08
    17   1     0.00   0.00  -0.05    -0.02   0.17   0.41     0.24  -0.14  -0.02
    18   1     0.20  -0.01   0.07    -0.22  -0.10   0.27     0.42  -0.11   0.09
    19   1    -0.00   0.04   0.18    -0.03   0.07   0.19     0.26   0.04   0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    219.4436               235.8345               252.0576
 Red. masses --      1.0871                 1.2515                 1.2267
 Frc consts  --      0.0308                 0.0410                 0.0459
 IR Inten    --      0.5629                 1.6516                31.6835
 RamAct Fr= 1--      0.1466                 0.0495                 0.2808
  Dep-P Fr= 1--      0.7480                 0.6636                 0.7078
  Dep-U Fr= 1--      0.8558                 0.7978                 0.8289
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0002
 Beta2  Fr= 1--      0.0209                 0.0066                 0.0388
 AlphaG Fr= 1--     -0.0001                -0.0011                 0.0008
 Gamma2 Fr= 1--      0.0261                 0.0388                 0.0174
 Delta2 Fr= 1--      0.0150                 0.0231                -0.0195
 Raman1 Fr= 1--       0.587                  0.198                  1.123
 ROA1   Fr= 1--       2.984                  4.468                  1.046
 CID1   Fr= 1--       5.088                 22.563                  0.931
 Raman2 Fr= 1--       0.251                  0.079                  0.466
 ROA2   Fr= 1--       0.506                  0.747                  0.574
 CID2   Fr= 1--       2.018                  9.464                  1.233
 Raman3 Fr= 1--       0.502                  0.158                  0.931
 ROA3   Fr= 1--       2.984                  4.468                  1.046
 CID3   Fr= 1--       5.945                 28.282                  1.123
 RC180  Fr= 1--       0.712                  0.596                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.03     0.01  -0.00   0.03    -0.00   0.01   0.00
     2   6    -0.00   0.01   0.01    -0.03   0.01  -0.05    -0.01   0.01  -0.01
     3   6    -0.00   0.01   0.01    -0.02   0.03  -0.06    -0.02  -0.00  -0.00
     4   6    -0.00  -0.00   0.01     0.00   0.01  -0.03    -0.02  -0.00   0.02
     5   8     0.03  -0.00  -0.01    -0.03  -0.03   0.01     0.01  -0.00  -0.01
     6   6    -0.01  -0.00  -0.02    -0.01  -0.01  -0.00    -0.00   0.02   0.01
     7   7     0.02   0.01  -0.03     0.01   0.00   0.06     0.08  -0.01  -0.06
     8   8    -0.02  -0.03   0.01     0.06   0.01  -0.01    -0.06  -0.03   0.01
     9   1    -0.01  -0.02   0.02    -0.03   0.09  -0.07    -0.05  -0.04  -0.00
    10   1     0.02   0.01   0.02    -0.08   0.04  -0.06    -0.02   0.01  -0.00
    11   1     0.03  -0.03  -0.02     0.00  -0.04   0.07     0.01  -0.03  -0.03
    12   1    -0.01  -0.00  -0.02    -0.08   0.06   0.20    -0.40  -0.03   0.41
    13   1     0.07   0.05  -0.03     0.13  -0.11   0.12     0.76  -0.03   0.15
    14   1     0.01  -0.42  -0.38    -0.04   0.07   0.10    -0.02   0.06   0.05
    15   1    -0.26   0.46  -0.19     0.07  -0.12   0.04     0.03  -0.02   0.03
    16   1     0.20  -0.04   0.45    -0.04  -0.01  -0.10    -0.02   0.02  -0.04
    17   1    -0.10   0.04  -0.12    -0.21   0.03  -0.39     0.05   0.01   0.09
    18   1     0.15  -0.02   0.04     0.54  -0.11   0.07    -0.10   0.02   0.00
    19   1    -0.11   0.01   0.18    -0.23   0.07   0.50     0.05   0.02  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    274.4847               302.1049               357.1657
 Red. masses --      2.1703                 2.6574                 2.8159
 Frc consts  --      0.0963                 0.1429                 0.2116
 IR Inten    --      4.3383                 6.4600                 7.8051
 RamAct Fr= 1--      0.3628                 0.5052                 1.2976
  Dep-P Fr= 1--      0.3576                 0.4990                 0.1386
  Dep-U Fr= 1--      0.5268                 0.6658                 0.2434
 Alpha2 Fr= 1--      0.0031                 0.0025                 0.0206
 Beta2  Fr= 1--      0.0318                 0.0561                 0.0526
 AlphaG Fr= 1--      0.0018                -0.0046                -0.0013
 Gamma2 Fr= 1--      0.0078                 0.2782                -0.2551
 Delta2 Fr= 1--     -0.0517                 0.0679                -0.0130
 Raman1 Fr= 1--       1.451                  2.021                  5.190
 ROA1   Fr= 1--      -0.908                 28.881                -24.904
 CID1   Fr= 1--      -0.626                 14.292                 -4.798
 Raman2 Fr= 1--       0.382                  0.673                  0.632
 ROA2   Fr= 1--       0.600                  6.134                 -6.018
 CID2   Fr= 1--       1.570                  9.119                 -9.527
 Raman3 Fr= 1--       0.764                  1.345                  1.263
 ROA3   Fr= 1--      -0.908                 28.881                -24.904
 CID3   Fr= 1--      -1.188                 21.466                -19.714
 RC180  Fr= 1--       0.054                  0.332                 -0.513
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.07    -0.01  -0.07   0.05    -0.11  -0.07  -0.01
     2   6    -0.00   0.01  -0.05    -0.10  -0.05  -0.00    -0.00  -0.07   0.09
     3   6     0.01  -0.02  -0.10    -0.03   0.01  -0.03     0.05  -0.08   0.06
     4   6     0.02  -0.02  -0.10    -0.02   0.03  -0.03     0.10   0.00   0.02
     5   8    -0.11  -0.04   0.01     0.02  -0.02  -0.01     0.13   0.06  -0.03
     6   6     0.02   0.04   0.04    -0.19   0.15  -0.02    -0.12   0.09  -0.04
     7   7    -0.05  -0.05   0.10     0.23  -0.02   0.03    -0.13  -0.06  -0.03
     8   8     0.14   0.07  -0.06     0.04  -0.05   0.02     0.11   0.10  -0.00
     9   1     0.06   0.08  -0.11    -0.01   0.02  -0.03     0.11  -0.13   0.07
    10   1    -0.06   0.06  -0.06    -0.14  -0.04  -0.01     0.02  -0.12   0.10
    11   1    -0.09   0.04   0.12     0.08  -0.14   0.05     0.06   0.12  -0.16
    12   1    -0.19   0.00   0.29     0.57   0.17  -0.16    -0.44  -0.24   0.14
    13   1     0.04  -0.26   0.17    -0.00   0.03  -0.05     0.06  -0.10   0.04
    14   1    -0.01  -0.17  -0.08    -0.07   0.29  -0.06     0.06   0.29  -0.14
    15   1    -0.00   0.32  -0.04    -0.18   0.20  -0.04    -0.21   0.09  -0.06
    16   1     0.09   0.02   0.33    -0.40   0.17  -0.01    -0.35   0.12  -0.12
    17   1     0.14   0.04   0.41     0.06  -0.10   0.17    -0.20   0.00  -0.14
    18   1    -0.37  -0.08   0.09    -0.09  -0.12   0.07    -0.03  -0.00  -0.03
    19   1     0.15   0.03  -0.17     0.08   0.02  -0.00    -0.22  -0.19   0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    378.0153               429.9850               522.2306
 Red. masses --      2.6320                 2.6335                 3.5705
 Frc consts  --      0.2216                 0.2869                 0.5737
 IR Inten    --      4.3133                 2.3900                15.7536
 RamAct Fr= 1--      1.2304                 0.9153                 4.1245
  Dep-P Fr= 1--      0.6963                 0.0458                 0.1313
  Dep-U Fr= 1--      0.8210                 0.0877                 0.2321
 Alpha2 Fr= 1--      0.0012                 0.0183                 0.0668
 Beta2  Fr= 1--      0.1684                 0.0134                 0.1595
 AlphaG Fr= 1--      0.0021                -0.0040                 0.0006
 Gamma2 Fr= 1--      0.0355                 0.0093                 0.1336
 Delta2 Fr= 1--      0.1505                 0.0287                 0.1841
 Raman1 Fr= 1--       4.921                  3.661                 16.498
 ROA1   Fr= 1--       8.227                  1.814                 18.719
 CID1   Fr= 1--       1.672                  0.495                  1.135
 Raman2 Fr= 1--       2.020                  0.160                  1.914
 ROA2   Fr= 1--      -0.351                 -0.005                  1.734
 CID2   Fr= 1--      -0.174                 -0.034                  0.906
 Raman3 Fr= 1--       4.040                  0.321                  3.829
 ROA3   Fr= 1--       8.227                  1.814                 18.719
 CID3   Fr= 1--       2.036                  5.652                  4.889
 RC180  Fr= 1--       0.642                 -0.825                 -0.536
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.18  -0.10   0.02     0.04   0.12  -0.06    -0.01  -0.20   0.03
     2   6    -0.12  -0.04  -0.00    -0.04   0.08   0.22     0.09  -0.13   0.06
     3   6    -0.07   0.07  -0.03     0.04  -0.00   0.06     0.08   0.13   0.09
     4   6     0.00   0.08  -0.01     0.01  -0.04  -0.08     0.01   0.02  -0.09
     5   8     0.09   0.05  -0.02    -0.10  -0.07  -0.00    -0.13  -0.06   0.04
     6   6    -0.11  -0.14   0.02    -0.10  -0.08  -0.03     0.04   0.04  -0.02
     7   7    -0.09   0.09  -0.03     0.05   0.00   0.01    -0.03   0.25  -0.05
     8   8     0.05   0.03   0.03     0.08   0.00  -0.06    -0.01  -0.07  -0.08
     9   1    -0.06   0.08  -0.03     0.25  -0.07   0.09     0.20   0.18   0.09
    10   1    -0.16  -0.05  -0.00    -0.02   0.07   0.22     0.17  -0.24   0.09
    11   1     0.15  -0.12  -0.03    -0.09   0.03   0.12    -0.03   0.00   0.34
    12   1    -0.22   0.03   0.06     0.02  -0.00   0.04    -0.25   0.03  -0.01
    13   1    -0.00   0.06   0.01     0.13   0.03   0.02     0.11   0.36  -0.03
    14   1    -0.16  -0.25   0.00    -0.01  -0.11  -0.18     0.19   0.21  -0.09
    15   1    -0.16  -0.14   0.02    -0.42  -0.25  -0.02     0.02   0.12  -0.04
    16   1     0.03  -0.15   0.04     0.05  -0.08  -0.23    -0.19   0.06  -0.01
    17   1     0.36  -0.38   0.16     0.05  -0.09  -0.22    -0.04  -0.11   0.04
    18   1     0.16  -0.12   0.03     0.12   0.45  -0.16    -0.02  -0.26   0.04
    19   1     0.42   0.19  -0.09     0.07   0.04  -0.19    -0.05  -0.23   0.07
                     13                     14                     15
                      A                      A                      A
 Frequencies --    622.2897               663.4607               762.4376
 Red. masses --      1.2548                 3.5789                 3.4654
 Frc consts  --      0.2863                 0.9282                 1.1869
 IR Inten    --     82.6469                19.5534                36.7627
 RamAct Fr= 1--      0.4975                 6.0462                 4.3635
  Dep-P Fr= 1--      0.3240                 0.1111                 0.1620
  Dep-U Fr= 1--      0.4895                 0.2000                 0.2788
 Alpha2 Fr= 1--      0.0047                 0.1030                 0.0654
 Beta2  Fr= 1--      0.0406                 0.2015                 0.2028
 AlphaG Fr= 1--     -0.0315                 0.0130                 0.0596
 Gamma2 Fr= 1--     -0.1742                -0.8542                -0.2355
 Delta2 Fr= 1--     -0.1466                -0.3300                 0.4976
 Raman1 Fr= 1--       1.990                 24.185                 17.454
 ROA1   Fr= 1--     -21.414                -92.564                 -6.684
 CID1   Fr= 1--     -10.761                 -3.827                 -0.383
 Raman2 Fr= 1--       0.487                  2.418                  2.433
 ROA2   Fr= 1--      -3.008                -17.861                 -9.633
 CID2   Fr= 1--      -6.177                 -7.387                 -3.959
 Raman3 Fr= 1--       0.974                  4.836                  4.867
 ROA3   Fr= 1--     -21.414                -92.564                 -6.684
 CID3   Fr= 1--     -21.986                -19.142                 -1.373
 RC180  Fr= 1--      -0.021                 -0.600                 -0.442
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.03  -0.00     0.01  -0.07   0.03
     2   6    -0.03   0.01  -0.04    -0.02   0.01  -0.00     0.05  -0.02   0.14
     3   6     0.02   0.02  -0.01     0.13  -0.02  -0.13    -0.05   0.01  -0.14
     4   6     0.06  -0.06   0.03     0.15   0.09  -0.03    -0.19   0.27  -0.12
     5   8     0.03  -0.04   0.04     0.03   0.14   0.20     0.07  -0.07   0.04
     6   6    -0.04  -0.01   0.01    -0.07  -0.01   0.01     0.11   0.03  -0.01
     7   7     0.01   0.04   0.00    -0.01  -0.06   0.01    -0.02  -0.04  -0.01
     8   8    -0.01  -0.02  -0.02    -0.14  -0.14  -0.12     0.01  -0.07   0.09
     9   1    -0.02   0.06  -0.02     0.13  -0.05  -0.13     0.07  -0.05  -0.12
    10   1    -0.05   0.00  -0.04    -0.13   0.07  -0.03    -0.04   0.08   0.10
    11   1    -0.44   0.80  -0.32     0.22   0.15   0.66    -0.26   0.39  -0.33
    12   1     0.02   0.04  -0.01    -0.14  -0.12   0.08    -0.03   0.09   0.11
    13   1     0.02   0.06  -0.00    -0.22  -0.34   0.01    -0.10  -0.30   0.02
    14   1    -0.06  -0.02   0.03    -0.03  -0.01  -0.04     0.25   0.07  -0.17
    15   1    -0.02  -0.00   0.01    -0.14  -0.03   0.01    -0.09  -0.01  -0.03
    16   1    -0.03  -0.01   0.02    -0.07  -0.01  -0.01     0.09   0.04  -0.10
    17   1     0.03  -0.03   0.03     0.02  -0.01  -0.01    -0.05  -0.07  -0.11
    18   1     0.01  -0.06   0.02     0.01   0.06  -0.01    -0.03   0.20  -0.06
    19   1     0.04   0.08   0.02     0.03   0.05  -0.02    -0.04  -0.30  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    832.6382               856.8530               912.1157
 Red. masses --      2.6529                 1.9549                 2.0885
 Frc consts  --      1.0837                 0.8456                 1.0237
 IR Inten    --     66.2397                56.0529                34.1272
 RamAct Fr= 1--      6.6069                 4.4484                 2.1107
  Dep-P Fr= 1--      0.0776                 0.1912                 0.7105
  Dep-U Fr= 1--      0.1440                 0.3210                 0.8308
 Alpha2 Fr= 1--      0.1221                 0.0618                 0.0014
 Beta2  Fr= 1--      0.1586                 0.2380                 0.2923
 AlphaG Fr= 1--     -0.0049                -0.0303                 0.0082
 Gamma2 Fr= 1--     -0.6771                 0.6555                 0.1291
 Delta2 Fr= 1--     -0.1616                 0.3869                -0.2083
 Raman1 Fr= 1--      26.428                 17.794                  8.443
 ROA1   Fr= 1--     -70.177                 75.305                  5.731
 CID1   Fr= 1--      -2.655                  4.232                  0.679
 Raman2 Fr= 1--       1.903                  2.856                  3.507
 ROA2   Fr= 1--     -14.958                 12.635                  4.766
 CID2   Fr= 1--      -7.858                  4.424                  1.359
 Raman3 Fr= 1--       3.807                  5.712                  7.014
 ROA3   Fr= 1--     -70.177                 75.305                  5.731
 CID3   Fr= 1--     -18.434                 13.183                  0.817
 RC180  Fr= 1--      -0.712                 -0.358                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.05  -0.02    -0.02  -0.11   0.03    -0.07  -0.11  -0.00
     2   6    -0.02  -0.01  -0.05    -0.02   0.05   0.08    -0.14   0.10   0.02
     3   6    -0.11  -0.00   0.20    -0.11   0.05  -0.07    -0.04  -0.05   0.09
     4   6    -0.01   0.14  -0.13     0.08  -0.10   0.04     0.01  -0.00  -0.02
     5   8     0.03   0.00   0.06     0.01   0.05   0.02     0.01   0.01   0.01
     6   6    -0.00   0.00  -0.03     0.08   0.04   0.00     0.10   0.11  -0.06
     7   7    -0.08  -0.14  -0.00    -0.08  -0.05   0.00     0.09   0.03   0.00
     8   8     0.07  -0.05  -0.08    -0.01   0.02  -0.05     0.02  -0.01  -0.03
     9   1    -0.02   0.02   0.20    -0.18   0.08  -0.08    -0.02  -0.13   0.10
    10   1     0.20  -0.13   0.00    -0.16   0.14   0.04    -0.10   0.09   0.02
    11   1     0.01   0.26   0.22     0.06   0.01   0.10     0.02   0.05   0.08
    12   1     0.27   0.02  -0.18     0.42   0.45  -0.05    -0.28  -0.32   0.05
    13   1     0.43   0.41   0.01     0.38   0.16   0.07    -0.32  -0.12  -0.06
    14   1    -0.18  -0.07   0.16     0.19   0.03  -0.14    -0.13  -0.14   0.06
    15   1     0.25   0.03  -0.00    -0.13  -0.04  -0.01     0.15  -0.09   0.00
    16   1     0.06  -0.01   0.09     0.15   0.04  -0.13     0.51   0.07  -0.14
    17   1     0.02   0.10   0.06    -0.02  -0.25  -0.09     0.02  -0.40  -0.03
    18   1     0.01  -0.11   0.03     0.01   0.11  -0.04     0.07  -0.08  -0.01
    19   1     0.01   0.15   0.07    -0.01  -0.21  -0.09     0.07   0.10  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    938.6335               959.8880               988.0867
 Red. masses --      1.2349                 1.6735                 1.9873
 Frc consts  --      0.6410                 0.9085                 1.1432
 IR Inten    --      1.7068                15.9182                23.3525
 RamAct Fr= 1--      0.5747                 5.2941                 3.0488
  Dep-P Fr= 1--      0.4985                 0.6786                 0.5163
  Dep-U Fr= 1--      0.6654                 0.8085                 0.6810
 Alpha2 Fr= 1--      0.0029                 0.0067                 0.0139
 Beta2  Fr= 1--      0.0637                 0.7134                 0.3461
 AlphaG Fr= 1--     -0.0133                -0.0162                -0.0255
 Gamma2 Fr= 1--      0.4438                -0.0211                 0.0600
 Delta2 Fr= 1--      0.4207                 0.1846                -0.1038
 Raman1 Fr= 1--       2.299                 21.176                 12.195
 ROA1   Fr= 1--      56.068                  3.886                  2.441
 CID1   Fr= 1--      24.391                  0.183                  0.200
 Raman2 Fr= 1--       0.765                  8.561                  4.153
 ROA2   Fr= 1--       7.286                 -1.982                  2.271
 CID2   Fr= 1--       9.527                 -0.232                  0.547
 Raman3 Fr= 1--       1.529                 17.121                  8.305
 ROA3   Fr= 1--      56.068                  3.886                  2.441
 CID3   Fr= 1--      36.658                  0.227                  0.294
 RC180  Fr= 1--       0.331                  0.617                  0.362
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.07    -0.10   0.03  -0.01     0.01  -0.11   0.03
     2   6     0.00  -0.03   0.00    -0.08  -0.01   0.00     0.02   0.11  -0.03
     3   6    -0.06  -0.02   0.00     0.13   0.05  -0.00     0.17   0.05  -0.02
     4   6     0.02  -0.01  -0.00    -0.02   0.02   0.02    -0.02   0.03   0.02
     5   8     0.01   0.01   0.01    -0.02  -0.02  -0.02    -0.02  -0.03  -0.02
     6   6    -0.00  -0.06  -0.05     0.09  -0.03  -0.02    -0.11   0.04  -0.04
     7   7     0.02   0.04  -0.00    -0.04  -0.06  -0.00    -0.05  -0.06   0.00
     8   8     0.01  -0.00  -0.02    -0.02   0.01   0.04    -0.03   0.01   0.05
     9   1    -0.12  -0.04  -0.00     0.26   0.07   0.00     0.33   0.09  -0.01
    10   1     0.25   0.30  -0.06    -0.05  -0.04   0.01     0.21   0.29  -0.06
    11   1     0.01   0.03   0.04    -0.02  -0.07  -0.08    -0.03  -0.08  -0.08
    12   1    -0.06  -0.01   0.04     0.09  -0.00  -0.07     0.13   0.03  -0.08
    13   1    -0.07  -0.03  -0.01     0.14   0.06   0.02     0.19   0.08   0.03
    14   1    -0.05   0.11   0.15     0.26   0.18  -0.10    -0.48  -0.20   0.27
    15   1     0.38   0.23  -0.08     0.07   0.16  -0.08     0.21  -0.05   0.04
    16   1    -0.31  -0.04   0.26    -0.22   0.00   0.04     0.23   0.00   0.09
    17   1    -0.02  -0.28  -0.18     0.11  -0.47   0.03    -0.06  -0.11  -0.11
    18   1     0.09   0.47  -0.07     0.20  -0.03   0.02    -0.03   0.09  -0.04
    19   1     0.06  -0.10  -0.18     0.20   0.55   0.01    -0.03  -0.30  -0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1072.3482              1114.8054              1135.3744
 Red. masses --      1.2662                 2.5390                 2.4487
 Frc consts  --      0.8579                 1.8591                 1.8598
 IR Inten    --      7.1042                16.6552               220.9526
 RamAct Fr= 1--      2.6270                 2.8062                 1.3262
  Dep-P Fr= 1--      0.1905                 0.4815                 0.7485
  Dep-U Fr= 1--      0.3201                 0.6500                 0.8561
 Alpha2 Fr= 1--      0.0366                 0.0151                 0.0000
 Beta2  Fr= 1--      0.1401                 0.3040                 0.1892
 AlphaG Fr= 1--      0.0178                 0.0100                -0.0010
 Gamma2 Fr= 1--     -0.4185                -0.8663                 0.3594
 Delta2 Fr= 1--     -0.0800                -1.1577                -0.0819
 Raman1 Fr= 1--      10.508                 11.225                  5.305
 ROA1   Fr= 1--     -42.734               -120.211                 31.887
 CID1   Fr= 1--      -4.067                -10.710                  6.011
 Raman2 Fr= 1--       1.682                  3.648                  2.271
 ROA2   Fr= 1--      -9.403                -11.530                  9.281
 CID2   Fr= 1--      -5.592                 -3.161                  4.087
 Raman3 Fr= 1--       3.363                  7.296                  4.542
 ROA3   Fr= 1--     -42.734               -120.211                 31.887
 CID3   Fr= 1--     -12.706                -16.476                  7.021
 RC180  Fr= 1--      -0.360                  0.300                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.05    -0.03  -0.06  -0.06     0.03  -0.00  -0.01
     2   6     0.01   0.01   0.07     0.11   0.12   0.05    -0.03   0.01   0.03
     3   6    -0.03  -0.05  -0.04    -0.09   0.23   0.03    -0.03   0.10  -0.01
     4   6    -0.01  -0.03  -0.00     0.05   0.00   0.02    -0.14  -0.17  -0.07
     5   8     0.01   0.02   0.02    -0.02  -0.03  -0.05     0.04   0.11   0.16
     6   6    -0.02   0.01  -0.05    -0.04  -0.06   0.04     0.01  -0.02  -0.03
     7   7    -0.02   0.06  -0.01     0.05  -0.13  -0.06     0.03  -0.05  -0.01
     8   8    -0.00   0.00  -0.00     0.00   0.01  -0.00     0.03  -0.00  -0.05
     9   1     0.24  -0.43   0.05    -0.22   0.06   0.05     0.43   0.37  -0.01
    10   1     0.29  -0.20   0.14     0.45   0.04   0.10     0.07  -0.07   0.06
    11   1     0.00  -0.03  -0.05     0.00   0.12   0.14    -0.09  -0.31  -0.54
    12   1     0.16   0.48   0.15    -0.13  -0.13   0.11    -0.11  -0.23  -0.04
    13   1     0.01  -0.26   0.06    -0.27  -0.48  -0.07    -0.04   0.04  -0.05
    14   1    -0.17  -0.04   0.14     0.05   0.10   0.02     0.01   0.05   0.03
    15   1     0.22   0.02  -0.02    -0.07   0.05   0.00     0.13   0.07  -0.03
    16   1     0.05  -0.01   0.09    -0.21  -0.04   0.08    -0.05  -0.01   0.06
    17   1     0.05  -0.00   0.10     0.06  -0.11   0.09    -0.00   0.12   0.03
    18   1     0.04  -0.23   0.03     0.05  -0.31   0.02    -0.05  -0.05   0.00
    19   1     0.01   0.21   0.10     0.01   0.12   0.07    -0.06  -0.11   0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1152.5721              1196.8882              1248.7996
 Red. masses --      2.5599                 1.7459                 1.7352
 Frc consts  --      2.0036                 1.4736                 1.5944
 IR Inten    --     25.7572                 7.1083                 6.2207
 RamAct Fr= 1--      5.8728                 1.8019                 2.5398
  Dep-P Fr= 1--      0.6457                 0.5991                 0.1411
  Dep-U Fr= 1--      0.7847                 0.7493                 0.2474
 Alpha2 Fr= 1--      0.0110                 0.0050                 0.0402
 Beta2  Fr= 1--      0.7681                 0.2250                 0.1047
 AlphaG Fr= 1--     -0.0246                -0.0052                 0.0231
 Gamma2 Fr= 1--      1.5726                 0.0593                 0.3717
 Delta2 Fr= 1--      0.9678                 0.0508                 0.1581
 Raman1 Fr= 1--      23.491                  7.208                 10.159
 ROA1   Fr= 1--     181.937                  7.317                 40.740
 CID1   Fr= 1--       7.745                  1.015                  4.010
 Raman2 Fr= 1--       9.217                  2.700                  1.257
 ROA2   Fr= 1--      30.000                  1.016                  7.655
 CID2   Fr= 1--       3.255                  0.376                  6.092
 Raman3 Fr= 1--      18.434                  5.401                  2.513
 ROA3   Fr= 1--     181.937                  7.317                 40.740
 CID3   Fr= 1--       9.870                  1.355                 16.211
 RC180  Fr= 1--       0.569                  0.499                 -0.505
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.08  -0.04    -0.09   0.04   0.06    -0.04   0.00  -0.08
     2   6     0.12   0.18  -0.10     0.13  -0.12  -0.04     0.08   0.00   0.15
     3   6     0.01  -0.16   0.05    -0.02   0.02  -0.02    -0.03  -0.09  -0.11
     4   6    -0.09   0.00  -0.06    -0.02  -0.02  -0.01     0.01   0.01   0.01
     5   8     0.02   0.03   0.06     0.00   0.02   0.03     0.00  -0.00  -0.01
     6   6    -0.04  -0.06   0.11    -0.05   0.10   0.05    -0.03  -0.00  -0.06
     7   7    -0.01   0.06   0.03     0.00  -0.00  -0.01     0.01   0.01   0.05
     8   8     0.03  -0.01  -0.03     0.01  -0.00  -0.02    -0.01   0.00   0.01
     9   1    -0.09  -0.17   0.03    -0.17   0.17  -0.07    -0.23   0.43  -0.22
    10   1     0.14   0.49  -0.18     0.30  -0.25   0.00    -0.01   0.17   0.10
    11   1    -0.01  -0.12  -0.17    -0.03  -0.09  -0.14     0.02   0.04   0.07
    12   1     0.05   0.09  -0.00    -0.01   0.00   0.00    -0.09  -0.32  -0.13
    13   1     0.08   0.16   0.03    -0.02  -0.03  -0.01     0.08   0.45  -0.02
    14   1     0.21   0.08  -0.13    -0.18  -0.23  -0.02    -0.15  -0.00   0.12
    15   1    -0.40   0.01   0.04    -0.21  -0.27   0.13     0.18   0.01  -0.02
    16   1    -0.29  -0.03  -0.06     0.33   0.06  -0.14     0.03  -0.01   0.14
    17   1     0.03  -0.26   0.01     0.02  -0.34  -0.04     0.09  -0.02   0.17
    18   1     0.10  -0.19  -0.01     0.22   0.26  -0.01     0.06  -0.27   0.01
    19   1     0.06   0.13  -0.03     0.15   0.26  -0.12    -0.01   0.23   0.11
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1284.0916              1346.2876              1363.1396
 Red. masses --      1.3605                 1.5217                 1.4860
 Frc consts  --      1.3217                 1.6250                 1.6269
 IR Inten    --      2.1901                12.2709                10.3289
 RamAct Fr= 1--      4.2914                 3.4871                 2.1847
  Dep-P Fr= 1--      0.6449                 0.6947                 0.7409
  Dep-U Fr= 1--      0.7841                 0.8198                 0.8512
 Alpha2 Fr= 1--      0.0081                 0.0034                 0.0003
 Beta2  Fr= 1--      0.5608                 0.4765                 0.3099
 AlphaG Fr= 1--      0.0094                 0.0154                -0.0017
 Gamma2 Fr= 1--     -0.8442                -0.2718                -0.7607
 Delta2 Fr= 1--     -0.7956                -0.2744                -0.3514
 Raman1 Fr= 1--      17.165                 13.948                  8.739
 ROA1   Fr= 1--    -106.506                -34.879                -84.272
 CID1   Fr= 1--      -6.205                 -2.501                 -9.643
 Raman2 Fr= 1--       6.730                  5.718                  3.719
 ROA2   Fr= 1--     -13.896                 -4.329                -15.445
 CID2   Fr= 1--      -2.065                 -0.757                 -4.153
 Raman3 Fr= 1--      13.460                 11.435                  7.438
 ROA3   Fr= 1--    -106.506                -34.879                -84.272
 CID3   Fr= 1--      -7.913                 -3.050                -11.330
 RC180  Fr= 1--       0.568                  0.640                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01     0.03   0.00  -0.02     0.01   0.00  -0.06
     2   6     0.01  -0.00  -0.04    -0.11  -0.05  -0.00    -0.03  -0.13   0.04
     3   6    -0.08  -0.03  -0.04    -0.04   0.01  -0.06     0.05   0.02   0.07
     4   6    -0.05  -0.06  -0.02     0.10   0.06   0.06    -0.06  -0.05  -0.03
     5   8     0.04   0.00  -0.05    -0.04  -0.01   0.01     0.02   0.01  -0.00
     6   6     0.00   0.01   0.04     0.02   0.02   0.06     0.00   0.04   0.01
     7   7     0.01   0.00   0.01     0.00  -0.00   0.04    -0.01   0.00  -0.05
     8   8    -0.02   0.03   0.06    -0.01  -0.01  -0.02     0.01   0.01   0.01
     9   1     0.67   0.14   0.02     0.17  -0.19  -0.00    -0.12   0.16   0.03
    10   1     0.22   0.00  -0.03     0.70   0.30  -0.03     0.01   0.78  -0.20
    11   1     0.13   0.34   0.52    -0.08  -0.18  -0.29     0.04   0.10   0.15
    12   1    -0.04  -0.08  -0.01    -0.04  -0.18  -0.07     0.04   0.22   0.09
    13   1    -0.00   0.11  -0.02     0.04   0.21   0.00    -0.04  -0.24   0.00
    14   1     0.06  -0.02  -0.07     0.14  -0.02  -0.13     0.00  -0.07  -0.07
    15   1    -0.10  -0.03   0.03    -0.10  -0.03   0.05     0.02  -0.10   0.05
    16   1    -0.00   0.01  -0.07     0.07   0.03  -0.14     0.10   0.03  -0.02
    17   1    -0.01  -0.05  -0.03    -0.01   0.10  -0.01     0.05   0.15   0.13
    18   1     0.02   0.02   0.00    -0.10  -0.05  -0.01    -0.00  -0.05  -0.04
    19   1     0.01  -0.02  -0.03    -0.03   0.01   0.07    -0.03   0.13   0.12
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1374.2619              1402.1854              1414.7888
 Red. masses --      1.4606                 1.2364                 1.4220
 Frc consts  --      1.6252                 1.4323                 1.6770
 IR Inten    --     13.6021                 4.9096                10.0861
 RamAct Fr= 1--      9.4338                 0.0226                 2.5248
  Dep-P Fr= 1--      0.7416                 0.1371                 0.7016
  Dep-U Fr= 1--      0.8516                 0.2411                 0.8246
 Alpha2 Fr= 1--      0.0013                 0.0004                 0.0021
 Beta2  Fr= 1--      1.3390                 0.0009                 0.3470
 AlphaG Fr= 1--     -0.0053                -0.0024                -0.0021
 Gamma2 Fr= 1--      1.6155                 0.0111                -0.5205
 Delta2 Fr= 1--      0.7798                 0.0039                 0.1243
 Raman1 Fr= 1--      37.735                  0.090                 10.099
 ROA1   Fr= 1--     180.039                  1.190                -45.986
 CID1   Fr= 1--       4.771                 13.198                 -4.553
 Raman2 Fr= 1--      16.068                  0.011                  4.164
 ROA2   Fr= 1--      32.533                  0.235                -13.486
 CID2   Fr= 1--       2.025                 21.621                 -3.239
 Raman3 Fr= 1--      32.136                  0.022                  8.328
 ROA3   Fr= 1--     180.039                  1.190                -45.986
 CID3   Fr= 1--       5.602                 54.743                 -5.522
 RC180  Fr= 1--       0.703                 -0.518                  0.649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01   0.01    -0.01  -0.06  -0.00     0.00  -0.06  -0.00
     2   6    -0.11   0.05   0.01     0.02   0.01  -0.01    -0.01   0.03  -0.01
     3   6     0.10  -0.05  -0.01     0.00   0.01  -0.01    -0.05  -0.10   0.05
     4   6    -0.08  -0.04  -0.03    -0.01  -0.01  -0.01     0.08   0.06   0.04
     5   8     0.03   0.01  -0.01     0.00   0.00  -0.00    -0.03  -0.02  -0.00
     6   6     0.02  -0.01   0.02    -0.11  -0.04   0.04     0.02  -0.01  -0.00
     7   7    -0.01   0.01  -0.01     0.00   0.00   0.01     0.00   0.00  -0.06
     8   8     0.01   0.01   0.01     0.00   0.00   0.00    -0.01  -0.01  -0.01
     9   1    -0.52   0.27  -0.14    -0.03  -0.11   0.01     0.26   0.70  -0.03
    10   1     0.59  -0.32   0.16    -0.03  -0.04   0.00     0.01  -0.07   0.02
    11   1     0.06   0.13   0.21     0.01   0.02   0.04    -0.05  -0.12  -0.16
    12   1     0.05   0.06  -0.02    -0.00  -0.04  -0.02     0.03   0.26   0.13
    13   1     0.03  -0.07   0.02     0.01   0.04   0.00    -0.08  -0.23  -0.03
    14   1     0.05   0.04   0.01     0.32   0.29  -0.26    -0.01   0.00   0.04
    15   1    -0.07   0.07  -0.02     0.42   0.22   0.02    -0.05   0.02  -0.02
    16   1    -0.01   0.00  -0.07     0.49  -0.08  -0.16    -0.06  -0.00   0.00
    17   1    -0.03   0.04  -0.05    -0.07   0.23   0.08    -0.08   0.21   0.03
    18   1    -0.12   0.06  -0.01     0.06   0.26  -0.09    -0.04   0.25  -0.09
    19   1    -0.03  -0.05   0.05     0.11   0.21   0.05     0.09   0.22   0.11
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.4246              1488.2400              1492.1368
 Red. masses --      1.2476                 1.0515                 1.0453
 Frc consts  --      1.4998                 1.3721                 1.3713
 IR Inten    --      6.4312                 4.1386                 1.9502
 RamAct Fr= 1--      0.8417                 1.2132                 8.5569
  Dep-P Fr= 1--      0.7456                 0.7486                 0.7499
  Dep-U Fr= 1--      0.8543                 0.8562                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1198                 0.1731                 1.2223
 AlphaG Fr= 1--      0.0004                -0.0011                 0.0005
 Gamma2 Fr= 1--      0.0249                 0.5452                -0.8950
 Delta2 Fr= 1--      0.1133                 0.3047                 0.6808
 Raman1 Fr= 1--       3.367                  4.853                 34.228
 ROA1   Fr= 1--       6.014                 62.087                -64.134
 CID1   Fr= 1--       1.786                 12.794                 -1.874
 Raman2 Fr= 1--       1.438                  2.078                 14.668
 ROA2   Fr= 1--      -0.309                 10.647                -26.927
 CID2   Fr= 1--      -0.215                  5.125                 -1.836
 Raman3 Fr= 1--       2.876                  4.155                 29.336
 ROA3   Fr= 1--       6.014                 62.087                -64.134
 CID3   Fr= 1--       2.091                 14.943                 -2.186
 RC180  Fr= 1--       0.709                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.11  -0.01    -0.04   0.01  -0.00     0.02  -0.00   0.02
     2   6     0.00   0.00   0.00    -0.02  -0.02  -0.00     0.01  -0.02  -0.00
     3   6     0.00   0.04  -0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.03  -0.01     0.01   0.00   0.00    -0.01  -0.01  -0.00
     5   8     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.06   0.02  -0.02     0.02  -0.03   0.00    -0.00  -0.02  -0.04
     7   7     0.00  -0.00   0.03    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     9   1    -0.05  -0.31   0.01     0.01   0.02  -0.00     0.01  -0.03   0.00
    10   1    -0.01  -0.02   0.01     0.04   0.04  -0.01     0.01   0.07  -0.03
    11   1     0.01   0.04   0.06    -0.00  -0.01  -0.01     0.00   0.00   0.01
    12   1    -0.02  -0.14  -0.06     0.01   0.01   0.00    -0.00  -0.00   0.00
    13   1     0.03   0.12   0.01    -0.00  -0.02   0.00    -0.00   0.01  -0.00
    14   1    -0.18  -0.15   0.17    -0.12   0.21   0.36     0.02   0.44   0.29
    15   1    -0.24  -0.09  -0.02    -0.30   0.37  -0.16    -0.35  -0.05  -0.05
    16   1    -0.26   0.04   0.08     0.20  -0.03  -0.20     0.32  -0.06   0.32
    17   1    -0.11   0.41   0.15     0.06   0.17   0.29    -0.19   0.01  -0.39
    18   1     0.05   0.45  -0.17     0.49  -0.04   0.01    -0.30  -0.14   0.05
    19   1     0.16   0.36   0.15     0.01  -0.21  -0.26     0.18   0.21  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.6469              1515.7285              1664.2101
 Red. masses --      1.0499                 1.0494                 1.0899
 Frc consts  --      1.4041                 1.4204                 1.7785
 IR Inten    --      3.4507                15.7266                33.1112
 RamAct Fr= 1--      8.5827                 0.4812                 2.4313
  Dep-P Fr= 1--      0.7421                 0.7371                 0.5866
  Dep-U Fr= 1--      0.8520                 0.8486                 0.7395
 Alpha2 Fr= 1--      0.0012                 0.0001                 0.0074
 Beta2  Fr= 1--      1.2187                 0.0681                 0.2996
 AlphaG Fr= 1--     -0.0016                -0.0004                -0.0069
 Gamma2 Fr= 1--     -0.5298                 0.8376                -0.2736
 Delta2 Fr= 1--     -0.4338                 0.3250                 0.0229
 Raman1 Fr= 1--      34.331                  1.925                  9.725
 ROA1   Fr= 1--     -64.745                 90.809                -25.537
 CID1   Fr= 1--      -1.886                 47.180                 -2.626
 Raman2 Fr= 1--      14.625                  0.817                  3.596
 ROA2   Fr= 1--      -9.246                 17.503                 -6.751
 CID2   Fr= 1--      -0.632                 21.431                 -1.878
 Raman3 Fr= 1--      29.249                  1.633                  7.191
 ROA3   Fr= 1--     -64.745                 90.809                -25.537
 CID3   Fr= 1--      -2.214                 55.594                 -3.551
 RC180  Fr= 1--       0.704                  0.697                  0.479
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.03    -0.01   0.00  -0.02     0.00  -0.00   0.00
     2   6     0.03  -0.01  -0.01    -0.02   0.01  -0.03    -0.01   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.00  -0.01   0.00     0.03   0.00  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.01    -0.01   0.01  -0.03     0.00   0.00   0.00
     7   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.07  -0.02
     8   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.03  -0.04   0.01     0.02  -0.00   0.00    -0.03  -0.05  -0.01
    10   1    -0.05  -0.01  -0.02     0.06  -0.06  -0.01     0.02  -0.02  -0.00
    11   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.00
    12   1    -0.00  -0.01  -0.00     0.00   0.00  -0.00    -0.18   0.38   0.54
    13   1    -0.00   0.01  -0.00     0.01  -0.00   0.00    -0.37   0.58  -0.23
    14   1    -0.11   0.06   0.21     0.18   0.28  -0.05     0.00   0.00  -0.00
    15   1    -0.14   0.31  -0.11    -0.10  -0.40   0.09    -0.00  -0.00   0.00
    16   1     0.11  -0.01  -0.24     0.13  -0.03   0.53    -0.00   0.00  -0.00
    17   1     0.21  -0.36   0.10     0.22  -0.09   0.37     0.00   0.00   0.00
    18   1    -0.35   0.25  -0.09     0.19   0.20  -0.08     0.00   0.01  -0.00
    19   1    -0.30   0.02   0.51    -0.23  -0.20   0.16    -0.01  -0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1803.6597              3010.2248              3026.8372
 Red. masses --      9.5263                 1.0815                 1.0403
 Frc consts  --     18.2593                 5.7739                 5.6153
 IR Inten    --    260.4508                 4.4177                23.9904
 RamAct Fr= 1--     10.3538               166.6934                28.7648
  Dep-P Fr= 1--      0.1607                 0.1957                 0.0527
  Dep-U Fr= 1--      0.2768                 0.3273                 0.1001
 Alpha2 Fr= 1--      0.1558                 2.2897                 0.5645
 Beta2  Fr= 1--      0.4777                 9.0935                 0.4801
 AlphaG Fr= 1--     -0.0140                 0.1100                 0.0079
 Gamma2 Fr= 1--      0.2657                -3.3802                -0.1398
 Delta2 Fr= 1--      0.1046                -3.7707                -0.7032
 Raman1 Fr= 1--      41.415                666.774                115.059
 ROA1   Fr= 1--      28.851               -445.157                -35.926
 CID1   Fr= 1--       0.697                 -0.668                 -0.312
 Raman2 Fr= 1--       5.733                109.123                  5.761
 ROA2   Fr= 1--       5.539                -50.958                  2.270
 CID2   Fr= 1--       0.966                 -0.467                  0.394
 Raman3 Fr= 1--      11.465                218.245                 11.522
 ROA3   Fr= 1--      28.851               -445.157                -35.926
 CID3   Fr= 1--       2.516                 -2.040                 -3.118
 RC180  Fr= 1--      -0.446                 -0.345                 -0.800
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.02   0.01
     2   6     0.01  -0.01   0.00     0.01  -0.02  -0.08     0.00  -0.00  -0.01
     3   6     0.03   0.01  -0.04    -0.00   0.00   0.01    -0.00   0.00   0.00
     4   6    -0.37   0.10   0.59     0.00   0.00  -0.00     0.00   0.00   0.00
     5   8     0.03  -0.01  -0.05    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.01    -0.00   0.00   0.02     0.04  -0.01  -0.03
     7   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   8     0.21  -0.08  -0.38    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   1     0.24   0.09  -0.01     0.02  -0.02  -0.14     0.01  -0.01  -0.05
    10   1    -0.06   0.02   0.01    -0.07   0.24   0.92    -0.01   0.03   0.12
    11   1     0.09   0.25   0.39     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   1    -0.01   0.00   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    13   1    -0.04  -0.03  -0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.02  -0.01   0.02     0.01   0.00   0.01    -0.34   0.20  -0.27
    15   1     0.01   0.01  -0.01     0.02  -0.06  -0.21    -0.08   0.20   0.66
    16   1     0.01   0.00  -0.00     0.00   0.02   0.01    -0.02  -0.31  -0.02
    17   1     0.00   0.02   0.03     0.02   0.00  -0.01    -0.16  -0.05   0.08
    18   1     0.03   0.00   0.00     0.00  -0.04  -0.13     0.00  -0.08  -0.29
    19   1     0.01   0.00  -0.01    -0.01   0.01  -0.00     0.16  -0.09   0.10
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3033.0271              3066.8065              3083.8059
 Red. masses --      1.0377                 1.0853                 1.0988
 Frc consts  --      5.6245                 6.0141                 6.1567
 IR Inten    --     26.0292                14.1574                17.2742
 RamAct Fr= 1--    228.5602                64.6352                42.4557
  Dep-P Fr= 1--      0.0055                 0.0803                 0.5812
  Dep-U Fr= 1--      0.0110                 0.1487                 0.7351
 Alpha2 Fr= 1--      5.0139                 1.1871                 0.1343
 Beta2  Fr= 1--      0.4189                 1.6022                 5.2018
 AlphaG Fr= 1--     -0.4454                 0.3981                 0.0600
 Gamma2 Fr= 1--      0.0270                 6.2035                16.8017
 Delta2 Fr= 1--     -0.0234                 4.5573                11.2695
 Raman1 Fr= 1--     914.241                258.541                169.823
 ROA1   Fr= 1--       1.839                741.368               1973.591
 CID1   Fr= 1--       0.002                  2.868                 11.621
 Raman2 Fr= 1--       5.027                 19.226                 62.421
 ROA2   Fr= 1--       0.834                112.425                313.086
 CID2   Fr= 1--       0.166                  5.847                  5.016
 Raman3 Fr= 1--      10.055                 38.453                124.842
 ROA3   Fr= 1--       1.839                741.368               1973.591
 CID3   Fr= 1--       0.183                 19.280                 15.809
 RC180  Fr= 1--      -0.978                 -0.703                  0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.01    -0.00  -0.00   0.01     0.01  -0.01   0.03
     2   6     0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.01
     3   6    -0.00   0.00   0.01     0.01  -0.01  -0.08     0.00  -0.00  -0.01
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.02  -0.00  -0.01     0.01   0.00   0.01    -0.04   0.00  -0.07
     7   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.01  -0.01  -0.09    -0.11   0.15   0.95    -0.01   0.01   0.08
    10   1    -0.01   0.03   0.12    -0.01   0.03   0.13    -0.01   0.02   0.08
    11   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1     0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00  -0.00
    14   1    -0.15   0.09  -0.12    -0.10   0.06  -0.07     0.54  -0.32   0.40
    15   1    -0.03   0.08   0.28     0.00  -0.01  -0.03    -0.07   0.16   0.51
    16   1    -0.01  -0.14  -0.01    -0.00  -0.05  -0.00     0.00   0.14  -0.01
    17   1     0.40   0.14  -0.20     0.07   0.02  -0.03     0.11   0.04  -0.04
    18   1    -0.00   0.17   0.60    -0.00  -0.01  -0.02     0.00  -0.07  -0.23
    19   1    -0.36   0.20  -0.22    -0.05   0.03  -0.02    -0.17   0.10  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.2570              3100.5120              3127.1100
 Red. masses --      1.0996                 1.1016                 1.0984
 Frc consts  --      6.2031                 6.2394                 6.3283
 IR Inten    --     48.5166                32.9300                12.0949
 RamAct Fr= 1--     94.7545                68.8294                57.6791
  Dep-P Fr= 1--      0.5297                 0.7297                 0.6167
  Dep-U Fr= 1--      0.6925                 0.8437                 0.7629
 Alpha2 Fr= 1--      0.4044                 0.0239                 0.1409
 Beta2  Fr= 1--     10.9367                 9.6789                 7.3339
 AlphaG Fr= 1--      0.2066                -0.0508                 0.0157
 Gamma2 Fr= 1--    -19.6998                 3.9245                -2.4869
 Delta2 Fr= 1--    -12.9539                 3.7148                -1.0576
 Raman1 Fr= 1--     379.018                275.318                230.716
 ROA1   Fr= 1--   -2305.705                495.627               -272.586
 CID1   Fr= 1--      -6.083                  1.800                 -1.181
 Raman2 Fr= 1--     131.240                116.147                 88.007
 ROA2   Fr= 1--    -369.164                 64.470                -51.224
 CID2   Fr= 1--      -2.813                  0.555                 -0.582
 Raman3 Fr= 1--     262.481                232.294                176.014
 ROA3   Fr= 1--   -2305.705                495.627               -272.586
 CID3   Fr= 1--      -8.784                  2.134                 -1.549
 RC180  Fr= 1--       0.385                  0.687                  0.526
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.08    -0.09   0.01   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.03    -0.00  -0.00  -0.00     0.01  -0.09  -0.00
     7   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     8   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   1    -0.01   0.01   0.10     0.00  -0.00  -0.01    -0.00   0.00   0.00
    10   1    -0.01   0.04   0.16     0.00  -0.00  -0.01    -0.00   0.01   0.03
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1     0.18  -0.11   0.13     0.04  -0.02   0.03    -0.23   0.12  -0.18
    15   1    -0.03   0.06   0.19    -0.00   0.01   0.02    -0.02   0.04   0.18
    16   1     0.00   0.04  -0.00     0.00   0.02   0.00     0.08   0.92   0.04
    17   1    -0.37  -0.13   0.16     0.62   0.24  -0.31    -0.00  -0.00   0.00
    18   1    -0.00   0.19   0.63    -0.02  -0.01  -0.05     0.00   0.00   0.00
    19   1     0.38  -0.22   0.21     0.50  -0.30   0.32    -0.01   0.01  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3480.5984              3557.6323              3708.1296
 Red. masses --      1.0492                 1.0925                 1.0638
 Frc consts  --      7.4887                 8.1467                 8.6187
 IR Inten    --      1.6433                 4.4881                50.4405
 RamAct Fr= 1--    106.3155                56.4076               124.2742
  Dep-P Fr= 1--      0.0778                 0.6018                 0.2312
  Dep-U Fr= 1--      0.1443                 0.7514                 0.3756
 Alpha2 Fr= 1--      1.9647                 0.1546                 1.5516
 Beta2  Fr= 1--      2.5575                 7.0641                 7.7790
 AlphaG Fr= 1--      0.1964                 0.1154                -0.1029
 Gamma2 Fr= 1--      0.5885                -0.2506                -1.4632
 Delta2 Fr= 1--      0.0712                 0.3367                -0.5926
 Raman1 Fr= 1--     425.262                225.630                497.097
 ROA1   Fr= 1--      58.779                -13.286               -159.433
 CID1   Fr= 1--       0.138                 -0.059                 -0.321
 Raman2 Fr= 1--      30.690                 84.769                 93.349
 ROA2   Fr= 1--      13.556                 -8.709                -30.377
 CID2   Fr= 1--       0.442                 -0.103                 -0.325
 Raman3 Fr= 1--      61.380                169.539                186.697
 ROA3   Fr= 1--      58.779                -13.286               -159.433
 CID3   Fr= 1--       0.958                 -0.078                 -0.854
 RC180  Fr= 1--      -0.711                  0.503                 -0.249
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.05  -0.02   0.02
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   7     0.04  -0.03  -0.03    -0.02   0.02  -0.07    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.00   0.00   0.01    -0.00   0.00   0.02     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.87   0.34  -0.35
    12   1    -0.35   0.32  -0.39     0.48  -0.40   0.47     0.00  -0.00   0.00
    13   1    -0.18   0.15   0.75    -0.18   0.12   0.57    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   641.794321148.021431465.82038
           X            0.99984  -0.01670   0.00645
           Y            0.01681   0.99971  -0.01703
           Z           -0.00617   0.01714   0.99983
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13496     0.07545     0.05909
 Rotational constants (GHZ):           2.81202     1.57204     1.23122
 Zero-point vibrational energy     431240.9 (Joules/Mol)
                                  103.06904 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     78.38   101.67   246.66   315.73   339.31
          (Kelvin)            362.65   394.92   434.66   513.88   543.88
                              618.65   751.37   895.34   954.57  1096.98
                             1197.98  1232.82  1312.33  1350.48  1381.06
                             1421.64  1542.87  1603.96  1633.55  1658.29
                             1722.06  1796.74  1847.52  1937.01  1961.25
                             1977.26  2017.43  2035.57  2055.18  2141.25
                             2146.85  2167.73  2180.80  2394.43  2595.06
                             4331.04  4354.94  4363.85  4412.45  4436.91
                             4451.95  4460.95  4499.21  5007.80  5118.64
                             5335.17
 
 Zero-point correction=                           0.164251 (Hartree/Particle)
 Thermal correction to Energy=                    0.173760
 Thermal correction to Enthalpy=                  0.174704
 Thermal correction to Gibbs Free Energy=         0.129892
 Sum of electronic and zero-point Energies=           -402.406495
 Sum of electronic and thermal Energies=              -402.396986
 Sum of electronic and thermal Enthalpies=            -402.396042
 Sum of electronic and thermal Free Energies=         -402.440854
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.036             34.351             94.314
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.470
 Vibrational            107.259             28.389             25.656
 Vibration     1          0.596              1.976              4.648
 Vibration     2          0.598              1.968              4.135
 Vibration     3          0.626              1.878              2.420
 Vibration     4          0.647              1.811              1.964
 Vibration     5          0.655              1.786              1.834
 Vibration     6          0.664              1.759              1.716
 Vibration     7          0.677              1.720              1.568
 Vibration     8          0.694              1.670              1.405
 Vibration     9          0.732              1.561              1.134
 Vibration    10          0.748              1.517              1.047
 Vibration    11          0.791              1.405              0.859
 Vibration    12          0.877              1.201              0.605
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.179362D-59        -59.746269       -137.570869
 Total V=0       0.636595D+16         15.803863         36.389740
 Vib (Bot)       0.968277D-73        -73.014001       -168.120949
 Vib (Bot)    1  0.379278D+01          0.578958          1.333100
 Vib (Bot)    2  0.291827D+01          0.465125          1.070991
 Vib (Bot)    3  0.117495D+01          0.070018          0.161221
 Vib (Bot)    4  0.901596D+00         -0.044988         -0.103588
 Vib (Bot)    5  0.832999D+00         -0.079355         -0.182722
 Vib (Bot)    6  0.773555D+00         -0.111509         -0.256758
 Vib (Bot)    7  0.702467D+00         -0.153374         -0.353156
 Vib (Bot)    8  0.628757D+00         -0.201517         -0.464010
 Vib (Bot)    9  0.514146D+00         -0.288913         -0.665248
 Vib (Bot)   10  0.478964D+00         -0.319697         -0.736129
 Vib (Bot)   11  0.405225D+00         -0.392304         -0.903314
 Vib (Bot)   12  0.308452D+00         -0.510812         -1.176188
 Vib (V=0)       0.343662D+03          2.536132          5.839660
 Vib (V=0)    1  0.432560D+01          0.636046          1.464550
 Vib (V=0)    2  0.346079D+01          0.539176          1.241498
 Vib (V=0)    3  0.177691D+01          0.249665          0.574875
 Vib (V=0)    4  0.153096D+01          0.184964          0.425894
 Vib (V=0)    5  0.147154D+01          0.167772          0.386309
 Vib (V=0)    6  0.142108D+01          0.152618          0.351417
 Vib (V=0)    7  0.136224D+01          0.134254          0.309131
 Vib (V=0)    8  0.130333D+01          0.115054          0.264921
 Vib (V=0)    9  0.121718D+01          0.085355          0.196536
 Vib (V=0)   10  0.119239D+01          0.076419          0.175961
 Vib (V=0)   11  0.114359D+01          0.058270          0.134172
 Vib (V=0)   12  0.108749D+01          0.036425          0.083871
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.372014D+06          5.570559         12.826686
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3 3        33333333                                         1    11111111111  111111 1                                    
     7     5 4        11000000                                         8    65544444333  221111 0 9999 88 7   66   5  43332222 1     
     0     5 8        20986321                                         0    61098210764  849531 7 8631 53 6   62   2  37507531 7  75 
     8     8 1        71447370                                         4    46728852436  497355 2 8092 73 2   32   2  08724269 1  14 
 
     X     X X        XXXXXXXX                                         X    XXXXXXXXXXX  XXXXXX X XXXX XX X   XX   X  XXXXXXXX X  XX 
     X                 XX  XX                                          X    X               XX    X  X XX X   XX           X         
     X                 XX                                              X    X                X       X XX X    X                     
     X                  X                                              X                     X         XX      X                     
                                                                       X                     X          X      X                     
                                                                       X                     X                 X                     
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000049    0.000005963   -0.000000733
      2        6           0.000005019   -0.000014311    0.000003672
      3        6          -0.000016054    0.000008367   -0.000003031
      4        6           0.000011180    0.000011343    0.000012006
      5        8          -0.000004190   -0.000006111   -0.000006941
      6        6          -0.000002392   -0.000000766   -0.000006625
      7        7           0.000005978   -0.000004704    0.000002399
      8        8          -0.000000525   -0.000000095   -0.000005027
      9        1           0.000000035   -0.000000608   -0.000000371
     10        1          -0.000000806    0.000000257   -0.000000287
     11        1           0.000000196   -0.000000016   -0.000000147
     12        1          -0.000000579    0.000002362   -0.000001778
     13        1           0.000000698    0.000000241    0.000001081
     14        1           0.000000602    0.000000045   -0.000000959
     15        1           0.000000126   -0.000001360    0.000002329
     16        1          -0.000001648   -0.000002638    0.000001946
     17        1           0.000001858    0.000001877   -0.000001321
     18        1          -0.000000151    0.000000096    0.000002044
     19        1           0.000000704    0.000000057    0.000001742
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016054 RMS     0.000004789
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.885055D+02  0.216710D+01 -0.143892D+01
      2   0.216710D+01  0.811768D+02  0.178954D+01
      3  -0.143892D+01  0.178954D+01  0.728566D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.122531D+01  0.476198D-01  0.167232D+01
      2   0.282304D+01 -0.507234D+01  0.246951D+02
      3   0.600943D+01 -0.372857D+02  0.553069D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.817418D+02 -0.178707D+02  0.778873D+01
      2  -0.360468D+02  0.128893D+02 -0.362280D+01
      3  -0.456950D+02  0.498146D+01 -0.416593D+01
      4  -0.248102D+02  0.636853D+02 -0.169550D+02
      5   0.809599D+01 -0.175882D+02  0.356504D+02
      6  -0.574857D+01 -0.200230D+01 -0.108325D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.100756D+01  0.472725D+01 -0.397579D+01  0.378752D+01 -0.113779D+01
      2   0.472725D+01 -0.146713D+01  0.559088D+00 -0.113779D+01 -0.349730D+01
      3  -0.397579D+01  0.559088D+00 -0.316337D+00  0.378470D+00 -0.276654D+00
                 6             7             8             9            10 
      1   0.378470D+00 -0.418437D+01  0.427412D+00 -0.374908D+00  0.232984D+00
      2  -0.276654D+00  0.427412D+00 -0.803233D+00  0.370837D+01 -0.451344D+01
      3   0.287521D+01 -0.374908D+00  0.370837D+01  0.464690D+01  0.250161D+01
                11            12            13            14            15 
      1  -0.451344D+01  0.250161D+01 -0.634895D+01  0.171758D+01 -0.676530D-01
      2   0.204563D+01 -0.154910D+00  0.171758D+01  0.443375D+01 -0.161114D+00
      3  -0.154910D+00  0.838466D+00 -0.676530D-01 -0.161114D+00 -0.251019D+01
                16            17            18            19            20 
      1   0.508781D+01 -0.175735D+00  0.127429D+01 -0.122310D+01  0.555787D+01
      2  -0.175735D+00  0.721141D+00 -0.299753D+01  0.555787D+01 -0.302197D+00
      3   0.127429D+01 -0.299753D+01 -0.808088D+01 -0.989576D+00  0.190776D+00
                21            22            23            24            25 
      1  -0.989576D+00  0.428361D+01 -0.979426D+00  0.255839D+00 -0.460708D+01
      2   0.190776D+00 -0.979426D+00 -0.261148D+01 -0.148256D+00 -0.214693D+00
      3  -0.683111D+00  0.255839D+00 -0.148256D+00  0.146375D+01 -0.873638D+00
                26            27            28            29            30 
      1  -0.214693D+00 -0.873638D+00 -0.112036D+01 -0.245948D+01 -0.360583D+00
      2  -0.196587D+01  0.170737D+01 -0.245948D+01  0.607607D+00  0.849866D+00
      3   0.170737D+01  0.645363D+01 -0.360583D+00  0.849866D+00  0.135255D+01
                31            32            33            34            35 
      1  -0.191477D+01 -0.310627D+00  0.115690D+01 -0.219498D+01  0.910526D+00
      2  -0.310627D+00 -0.117433D+01  0.318692D+00  0.910526D+00  0.176780D+00
      3   0.115690D+01  0.318692D+00 -0.494659D+00  0.236071D+01 -0.253458D+00
                36            37            38            39            40 
      1   0.236071D+01  0.502944D+01  0.191785D+01 -0.171314D+01  0.155259D+01
      2  -0.253458D+00  0.191785D+01  0.135962D+01 -0.276857D+00  0.822021D+00
      3  -0.397708D+01 -0.171314D+01 -0.276857D+00 -0.626942D-01 -0.653238D+00
                41            42            43            44            45 
      1   0.822021D+00 -0.653238D+00 -0.365724D+01 -0.149928D+01 -0.195898D+01
      2  -0.161464D+01 -0.172898D+01 -0.149928D+01 -0.252544D+01 -0.150255D+01
      3  -0.172898D+01 -0.467789D+00 -0.195898D+01 -0.150255D+01 -0.392765D+01
                46            47            48            49            50 
      1   0.318263D+00  0.363261D+01 -0.343165D+01  0.442099D+01 -0.188619D+01
      2   0.363261D+01 -0.928252D+00  0.359482D+00 -0.188619D+01 -0.583790D+01
      3  -0.343165D+01  0.359482D+00 -0.184500D+01  0.522451D+00 -0.402443D+00
                51            52            53            54            55 
      1   0.522451D+00 -0.526029D+01  0.255752D+00 -0.293722D+01  0.239510D+01
      2  -0.402443D+00  0.255752D+00 -0.604648D+00  0.255915D+01 -0.239290D+01
      3   0.273500D+01 -0.293722D+01  0.255915D+01  0.548985D+01  0.118306D+01
                56            57            58            59            60 
      1  -0.239290D+01  0.118306D+01 -0.121696D+01  0.253930D+01 -0.807696D+00
      2   0.304456D+01 -0.539289D+00  0.253930D+01  0.401583D+01  0.605374D+00
      3  -0.539289D+00  0.247139D+01 -0.807696D+00  0.605374D+00 -0.136762D+01
                61            62            63            64            65 
      1   0.184210D+01 -0.108972D+01  0.270724D+01 -0.494542D+01  0.837480D+00
      2  -0.108972D+01  0.784996D+00 -0.142192D+01  0.837480D+00 -0.150164D+01
      3   0.270724D+01 -0.142192D+01 -0.301588D+01  0.335259D+01 -0.711355D+00
                66            67            68            69            70 
      1   0.335259D+01  0.150659D+01 -0.132439D+01 -0.615464D+00  0.544069D+01
      2  -0.711355D+00 -0.132439D+01  0.204834D+01  0.202754D+01 -0.115500D+00
      3  -0.259022D+01 -0.615464D+00  0.202754D+01  0.772077D+00 -0.338221D+01
                71            72            73            74            75 
      1  -0.115500D+00 -0.338221D+01  0.565899D+00 -0.690455D+00 -0.103708D+01
      2   0.295129D+01  0.906537D+00 -0.690455D+00  0.369497D+00  0.325146D-01
      3   0.906537D+00  0.865337D+01 -0.103708D+01  0.325146D-01  0.931487D+00
                76            77            78            79            80 
      1  -0.938096D+00  0.231419D+00 -0.175761D-01 -0.125858D+01  0.118599D+00
      2   0.231419D+00  0.801529D-01 -0.105957D+01  0.118599D+00 -0.139112D+01
      3  -0.175761D-01 -0.105957D+01 -0.720910D+00  0.321828D+00 -0.305481D+00
                81            82            83            84            85 
      1   0.321828D+00 -0.186242D+00  0.955992D+00  0.789396D+00  0.116982D+01
      2  -0.305481D+00  0.955992D+00 -0.405184D+00  0.103098D-01 -0.259767D+00
      3  -0.750703D+01  0.789396D+00  0.103098D-01 -0.181502D+00  0.128288D-01
                86            87            88            89            90 
      1  -0.259767D+00  0.128288D-01  0.127351D+01 -0.281933D-01 -0.489689D-01
      2   0.327441D+00  0.139406D+01 -0.281933D-01  0.189557D+01  0.137361D+01
      3   0.139406D+01  0.153815D+01 -0.489689D-01  0.137361D+01  0.808604D+01
                91            92            93            94            95 
      1  -0.805654D+01 -0.355098D+01 -0.503267D+00 -0.284500D+01 -0.204960D+01
      2  -0.355098D+01 -0.263395D+01 -0.307199D+00 -0.204960D+01 -0.201831D+01
      3  -0.503267D+00 -0.307199D+00 -0.120413D+01 -0.946193D-01 -0.283386D+00
                96            97            98            99           100 
      1  -0.946193D-01  0.225546D+01  0.107637D+01 -0.722442D+00 -0.197071D+01
      2  -0.283386D+00  0.107637D+01  0.670215D+00 -0.344800D+00  0.257601D+01
      3  -0.553400D+00 -0.722442D+00 -0.344800D+00 -0.646178D-03 -0.132014D+01
               101           102           103           104           105 
      1   0.257601D+01 -0.132014D+01  0.215160D+01 -0.229880D+01  0.108857D+01
      2  -0.322831D+01  0.141702D+01 -0.229880D+01  0.451538D+01 -0.155704D+01
      3   0.141702D+01 -0.138933D+01  0.108857D+01 -0.155704D+01  0.136197D+01
               106           107           108           109           110 
      1  -0.216888D+01  0.166858D+01 -0.159402D+01 -0.212438D+00  0.793318D+00
      2   0.166858D+01 -0.310966D+01  0.201557D+01  0.793318D+00 -0.808002D+00
      3  -0.159402D+01  0.201557D+01 -0.214783D+01  0.302070D+00 -0.581212D+00
               111           112           113           114           115 
      1   0.302070D+00  0.740451D+00 -0.390758D+00 -0.527657D+00  0.134807D+01
      2  -0.581212D+00 -0.390758D+00  0.145374D+01  0.862651D+00 -0.507334D+00
      3  -0.898096D+00 -0.527657D+00  0.862651D+00  0.121180D+01 -0.104070D+01
               116           117           118           119           120 
      1  -0.507334D+00 -0.104070D+01  0.747837D+01 -0.179749D+01  0.251314D+01
      2   0.271613D+01  0.198482D+01 -0.179749D+01  0.135433D+01 -0.580584D+00
      3   0.198482D+01  0.474137D+01  0.251314D+01 -0.580584D+00  0.187544D+01
               121           122           123           124           125 
      1  -0.341835D+01  0.183407D+01 -0.760351D+00  0.448307D+01 -0.716308D+00
      2   0.183407D+01 -0.831290D+00  0.797689D+00 -0.716308D+00  0.107167D+01
      3  -0.760351D+00  0.797689D+00 -0.112776D+01  0.246668D+01 -0.953572D+00
               126           127           128           129           130 
      1   0.246668D+01  0.118394D+01 -0.527787D+00 -0.977324D+00 -0.130313D+01
      2  -0.953572D+00 -0.527787D+00  0.287607D+00  0.108729D+00  0.690758D+00
      3   0.172386D+01 -0.977324D+00  0.108729D+00  0.975510D+00  0.474933D+00
               131           132           133           134           135 
      1   0.690758D+00  0.474933D+00 -0.230566D+01  0.175541D+00  0.258096D+01
      2  -0.253886D+00 -0.113486D+01  0.175541D+00 -0.143992D+01 -0.104313D+01
      3  -0.113486D+01 -0.166147D+01  0.258096D+01 -0.104313D+01 -0.733457D+01
               136           137           138           139           140 
      1   0.559448D+00  0.125126D+01  0.343862D+00  0.259834D+01  0.208073D+01
      2   0.125126D+01  0.127767D+01 -0.395576D-01  0.208073D+01  0.791589D+01
      3   0.343862D+00 -0.395576D-01  0.340270D+00 -0.160340D+00 -0.261128D-01
               141           142           143           144           145 
      1  -0.160340D+00  0.635963D+00  0.289874D-01  0.715390D+00 -0.554831D+01
      2  -0.261128D-01  0.289874D-01  0.238712D+00  0.714418D+00 -0.211788D+01
      3   0.880758D+00  0.715390D+00  0.714418D+00 -0.434243D+00  0.181115D+01
               146           147           148           149           150 
      1  -0.211788D+01  0.181115D+01 -0.137555D+01 -0.182114D+01  0.683762D+00
      2  -0.289451D+01  0.923311D+00 -0.182114D+01 -0.187532D+01  0.915718D+00
      3   0.923311D+00 -0.142881D+01  0.683762D+00  0.915718D+00 -0.984646D+00
               151           152           153           154           155 
      1   0.195571D+01  0.851362D+00 -0.128790D+01 -0.160216D+00 -0.950682D+00
      2   0.851362D+00  0.158291D+01 -0.144823D+01 -0.950682D+00  0.213811D+00
      3  -0.128790D+01 -0.144823D+01  0.118438D+01 -0.563304D+00  0.315111D-01
               156           157           158           159           160 
      1  -0.563304D+00 -0.618641D+00  0.139639D+00  0.131058D-02 -0.102231D+01
      2   0.315111D-01  0.139639D+00 -0.171604D+01 -0.153324D+01  0.120698D+00
      3   0.131043D+00  0.131058D-02 -0.153324D+01 -0.165451D+01  0.213341D+00
               161           162           163           164           165 
      1   0.120698D+00  0.213341D+00  0.465233D+01 -0.324854D+01  0.207497D+01
      2  -0.316457D+01 -0.277796D+01 -0.324854D+01  0.360884D+01 -0.129164D+01
      3  -0.277796D+01 -0.616081D+01  0.207497D+01 -0.129164D+01  0.168307D+01
               166           167           168           169           170 
      1  -0.223207D+01  0.240298D+01 -0.870471D+00  0.233702D+01 -0.128706D+01
      2   0.240298D+01 -0.336002D+01  0.138993D+01 -0.128706D+01  0.219504D+01
      3  -0.870471D+00  0.138993D+01 -0.129576D+01  0.158055D+01 -0.192123D+01
               171 
      1   0.158055D+01
      2  -0.192123D+01
      3   0.160721D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.736529D+01  0.597248D+00 -0.113646D+00  0.114890D+00 -0.367280D+01
      2  -0.464399D+01 -0.138467D+00  0.244427D+01 -0.325107D+00  0.297329D+00
      3  -0.872396D+01 -0.132516D+02  0.818193D+01 -0.594377D+01  0.649293D+01
                 6             7             8             9            10 
      1   0.462053D+01 -0.625787D+00  0.117213D+02  0.103799D+02  0.640918D-01
      2   0.292222D+01 -0.139344D+01  0.386529D+01  0.506459D+01  0.427071D+01
      3  -0.474733D+00  0.865645D+01 -0.419242D+00 -0.390356D+01  0.619278D+01
                11            12            13            14            15 
      1   0.150038D+00  0.174185D+00 -0.447890D+00  0.233870D+01 -0.361228D+01
      2  -0.142091D+00  0.375961D+01 -0.103561D+01 -0.318405D+00 -0.341570D+01
      3  -0.440351D+01 -0.551425D+00  0.225544D+01 -0.711534D+01  0.489454D+00
                16            17            18            19            20 
      1   0.234315D-01  0.326277D+01 -0.296798D+01 -0.171418D+01 -0.141741D+01
      2  -0.298719D+01 -0.392946D+01 -0.101644D+02  0.267283D+01 -0.679100D+00
      3   0.168967D+01 -0.613386D+00  0.377805D+01  0.127668D+01 -0.367443D+01
                21            22            23            24            25 
      1  -0.348815D+00 -0.377774D+00  0.356226D+01 -0.120498D+01  0.624523D+00
      2   0.225891D+01  0.809820D+00 -0.227522D+01  0.124078D+01 -0.786263D+01
      3   0.100785D+01  0.209615D+01 -0.356802D+01  0.137044D+01 -0.360447D+01
                26            27            28            29            30 
      1   0.415799D+01 -0.383877D+01  0.543918D+00  0.262936D+01  0.223555D+01
      2   0.116179D+00  0.650520D-01 -0.616560D+01  0.673938D+00 -0.176216D+01
      3   0.134916D+01 -0.593555D+00 -0.104728D+02  0.420901D+01 -0.174935D+01
                31            32            33            34            35 
      1  -0.183160D+00 -0.590539D+01 -0.589717D+01  0.203591D+01 -0.236393D+01
      2   0.351278D+01  0.236218D+01 -0.163117D+01 -0.341240D+01 -0.949739D+00
      3   0.150965D+02  0.823082D+01 -0.239205D+01 -0.702034D+01 -0.710629D+01
                36            37            38            39            40 
      1   0.469516D+01 -0.235106D+01  0.361591D+00 -0.809549D+00 -0.841276D+00
      2   0.949440D+01  0.671629D+01  0.221511D+01  0.178216D+01 -0.909277D+00
      3  -0.164057D+01  0.193904D+01 -0.825718D+00  0.802907D+00  0.201641D+01
                41            42            43            44            45 
      1   0.168066D+01 -0.226963D+01  0.230394D+01  0.519329D+01 -0.262524D+01
      2   0.318913D+01  0.127804D+01 -0.536658D+01  0.109301D+01  0.769849D+01
      3  -0.509501D+01 -0.265672D+01  0.253342D+01 -0.144782D+01 -0.178031D+01
                46            47            48            49            50 
      1   0.515720D+00  0.651425D+00  0.201389D+00  0.149241D+01  0.214833D+01
      2  -0.111292D+02  0.149035D+01 -0.476195D+01  0.249902D+01 -0.157911D+01
      3  -0.919603D+01  0.228366D+01 -0.209230D+01  0.114542D+02  0.188103D+02
                51            52            53            54            55 
      1  -0.295008D+01  0.117757D+01  0.103987D+01 -0.234555D+01 -0.164508D+01
      2   0.765694D+01 -0.135840D+02  0.702370D+01  0.149544D+02  0.153438D+01
      3   0.447685D+00 -0.352657D+01  0.140126D+01 -0.850137D+01  0.675438D+01
                56            57            58            59            60 
      1   0.231156D+01 -0.730214D+01  0.177644D+01 -0.399440D+01 -0.950763D+00
      2   0.662952D+00  0.425637D+01  0.383943D+00  0.162708D+01  0.153018D+00
      3  -0.113204D+02  0.249278D+01  0.196572D+01  0.683879D+01 -0.206222D+01
                61            62            63            64            65 
      1  -0.740830D+01  0.881431D+01  0.732887D+01 -0.152877D+00 -0.380026D+01
      2  -0.829878D+00  0.275540D+00 -0.866135D+00  0.323235D+00  0.140333D+01
      3   0.319534D+01 -0.229502D+01  0.790768D+01  0.226095D+01 -0.698035D+01
                66            67            68            69            70 
      1   0.101058D+00 -0.215515D+00  0.153550D+01 -0.980568D+00 -0.109273D+01
      2   0.790657D+01  0.298410D+00 -0.486127D+01 -0.118010D+01 -0.269036D+01
      3  -0.340258D+00 -0.249155D+01  0.345097D+00  0.448543D+01  0.404373D+01
                71            72            73            74            75 
      1   0.705506D+01 -0.750847D+00  0.994272D+00 -0.458423D+00 -0.137037D-01
      2  -0.211981D+01 -0.160289D+02  0.540671D+00 -0.279091D+00  0.276163D+00
      3   0.683326D+01  0.250358D+01  0.109115D+00 -0.872384D+00 -0.681752D+00
                76            77            78            79            80 
      1  -0.596299D-01  0.832567D+00 -0.323077D-01 -0.239754D+00  0.389231D+01
      2  -0.745168D+00  0.163961D+00 -0.321099D+00 -0.362887D+01  0.149516D+00
      3   0.141630D+01  0.147557D+00 -0.988743D-01  0.834595D-01  0.208500D+00
                81            82            83            84            85 
      1   0.391323D+01  0.111302D+01 -0.616022D+00 -0.492312D-01 -0.253823D+00
      2   0.491827D+00  0.130827D+01 -0.571339D+00  0.396209D-01 -0.143601D+01
      3  -0.490859D+00 -0.125623D+01 -0.675664D+00 -0.101185D+00  0.146519D+01
                86            87            88            89            90 
      1   0.118005D+01 -0.200821D+00 -0.427438D+00  0.432871D+01  0.215962D+01
      2   0.216500D+01  0.195558D+01 -0.423044D+01  0.218232D+01  0.101568D+02
      3  -0.459600D+00 -0.157128D+01  0.279995D+00 -0.204834D+01 -0.160901D+01
                91            92            93            94            95 
      1   0.307239D+01  0.196698D+01 -0.116364D+01  0.183786D+01  0.153186D+01
      2  -0.578680D+01 -0.275804D+01  0.313924D+01 -0.275027D+01 -0.153263D+01
      3   0.245658D+00 -0.398638D+01 -0.564806D+00 -0.815316D+00 -0.283463D+01
                96            97            98            99           100 
      1  -0.514285D+00 -0.115120D+01 -0.295887D+00  0.700909D+00  0.259225D+01
      2   0.148097D+01  0.224434D+01  0.108070D+01 -0.157496D+01 -0.180495D+01
      3   0.335130D+00  0.431639D+00  0.135941D+01 -0.332498D+00 -0.594022D+01
               101           102           103           104           105 
      1  -0.253049D+01  0.419118D+01 -0.238818D+01  0.229861D+01 -0.372369D+01
      2   0.373868D+00  0.554901D+00  0.778582D+00 -0.419234D+00 -0.262953D+00
      3   0.478301D+01 -0.334373D+01  0.727352D+01 -0.524504D+01  0.294400D+01
               106           107           108           109           110 
      1   0.364659D+01 -0.271620D+01  0.439131D+01 -0.852011D+00  0.110634D+01
      2  -0.170321D+01  0.277385D+00 -0.298024D-02  0.630775D+00 -0.195240D-01
      3  -0.622838D+01  0.397393D+01 -0.426738D+01 -0.976582D+00  0.629592D+00
               111           112           113           114           115 
      1   0.313941D+01  0.120964D+01 -0.269076D+01 -0.355896D+01  0.336331D+01
      2  -0.228020D+00  0.191398D+00  0.223480D+00 -0.786093D-01 -0.257217D+01
      3   0.729113D+00  0.189689D+01 -0.149089D+01 -0.151128D+01  0.393587D+01
               116           117           118           119           120 
      1  -0.334356D+01 -0.125277D+02 -0.313561D+00  0.512696D+00  0.304795D+00
      2   0.216735D+00  0.918007D+00  0.759969D+01 -0.218197D+01  0.804362D+01
      3  -0.155817D+01 -0.367152D+01  0.628630D+01 -0.697849D+01  0.274298D+01
               121           122           123           124           125 
      1  -0.143192D+00 -0.502143D+00 -0.724932D+00 -0.209548D+00  0.148205D+01
      2  -0.230135D+01  0.245933D+01 -0.449648D+01  0.603961D+01 -0.310757D+01
      3  -0.465539D+01  0.359500D+01 -0.235136D+01  0.285900D+01 -0.433676D+01
               126           127           128           129           130 
      1   0.123937D+00  0.489093D+00 -0.350402D+00 -0.517858D+00 -0.931060D-01
      2   0.600677D+01 -0.246315D+01  0.149196D+00  0.384282D+01  0.280260D+00
      3   0.350702D+01  0.180567D+01 -0.191684D+01 -0.717845D+00 -0.108174D+01
               131           132           133           134           135 
      1   0.972701D+00 -0.129549D+00 -0.673432D+00  0.368776D+01  0.215085D+01
      2  -0.288115D+01 -0.476786D+01  0.338786D+01 -0.320177D+01 -0.207930D+02
      3   0.918804D+00  0.288008D+01 -0.540422D+00  0.480785D+01  0.425793D+01
               136           137           138           139           140 
      1  -0.351840D+00 -0.359613D+00 -0.647225D+00 -0.172721D+00 -0.176026D+01
      2   0.106043D+01 -0.169505D-01  0.143440D+01 -0.611748D-01  0.411583D+00
      3  -0.344019D+01 -0.303418D+01  0.260824D+00 -0.627113D+00 -0.240428D+02
               141           142           143           144           145 
      1  -0.253339D+01 -0.557567D+00  0.664529D+00  0.271075D+00  0.334773D+01
      2   0.320180D+01  0.616884D+00  0.186807D+01 -0.122507D+01  0.507651D+01
      3  -0.100230D+00  0.388465D+00 -0.613057D+00 -0.121691D+01  0.171714D+02
               146           147           148           149           150 
      1  -0.798009D-01 -0.374010D+01  0.510542D+00  0.109741D+01 -0.269842D+01
      2   0.117173D+01 -0.225361D+00  0.100255D+01  0.166451D+01 -0.340543D+00
      3   0.461793D+01 -0.497367D+01  0.622741D+01  0.485974D+01 -0.252645D+01
               151           152           153           154           155 
      1  -0.282147D+01 -0.993545D+00  0.188701D+01 -0.137169D+01  0.828488D-01
      2  -0.350304D+01 -0.141834D+01  0.958780D+00 -0.793239D+00  0.193674D+00
      3  -0.563297D+01 -0.239544D+01  0.412610D+01  0.188825D+01  0.714088D+00
               156           157           158           159           160 
      1   0.419631D-01  0.149439D+00 -0.307488D+01 -0.541784D+01  0.319048D+00
      2   0.671843D+00 -0.312919D+00 -0.149892D+01 -0.144970D+01 -0.246047D+01
      3   0.102148D+01  0.239815D+01  0.142012D+01  0.147492D+01  0.294183D+01
               161           162           163           164           165 
      1  -0.335395D+01 -0.148791D+02  0.338510D+01 -0.757667D+00  0.431639D+01
      2  -0.269691D+01 -0.631613D+01  0.320327D+00 -0.647870D+00  0.299872D+01
      3   0.338257D+01  0.285673D+01 -0.701853D+01  0.884757D-01 -0.302159D+01
               166           167           168           169           170 
      1  -0.118218D+01  0.152228D+01 -0.365260D+01  0.280720D+01 -0.163874D+01
      2   0.120112D+00  0.802352D+00 -0.194514D+01 -0.321792D+00 -0.181410D+01
      3   0.431087D+01 -0.718568D+00  0.592024D+00 -0.448571D+01 -0.482412D+00
               171 
      1   0.283140D+01
      2   0.188857D+01
      3  -0.929548D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.102024D+02  0.919057D+01 -0.841917D+01  0.611272D+01 -0.125628D+02
      2  -0.142196D+02 -0.131012D+01  0.350279D+01 -0.127226D+00  0.176096D+02
      3   0.401720D+01 -0.788045D+01  0.491639D+01 -0.598550D+01 -0.504681D+01
      4   0.733158D+01 -0.207098D+02  0.159813D+02 -0.177335D+02 -0.103629D+01
      5  -0.790212D+01  0.823033D+01 -0.559166D+01  0.576419D+01 -0.183311D+01
      6   0.196619D+02 -0.276613D+01  0.123874D+01 -0.203815D+01  0.303430D+01
                 6             7             8             9            10 
      1   0.122454D+01 -0.935459D+01  0.191690D+01  0.736510D+01 -0.138104D+02
      2   0.594114D+00  0.311591D+01  0.137428D+01 -0.108462D+02  0.100532D+02
      3  -0.181865D+01  0.623868D+01 -0.329118D+01  0.348105D+01  0.375720D+01
      4  -0.232526D+01  0.148614D+02 -0.431139D+01  0.874518D+01 -0.108810D+02
      5   0.668232D+01 -0.605619D+01  0.855966D+01  0.973631D+01  0.963005D+01
      6  -0.128303D+02  0.189418D+01 -0.175435D+02 -0.174038D+02 -0.348594D+01
                11            12            13            14            15 
      1  -0.120067D+02  0.754857D+01 -0.138924D+02  0.138694D+02  0.216198D+01
      2   0.575155D+01 -0.562575D+01  0.760453D+01 -0.141374D+02  0.128289D+01
      3   0.625512D+01 -0.192282D+01  0.628784D+01  0.267936D+00 -0.344487D+01
      4   0.675405D+01 -0.113458D+01  0.743608D+01  0.799802D+01  0.505182D-01
      5  -0.558617D+00  0.158236D+01 -0.773140D+00  0.183634D+00 -0.760417D+01
      6   0.951345D+00 -0.631856D+00  0.122995D+01 -0.270687D+00 -0.102106D+00
                16            17            18            19            20 
      1   0.125592D+02  0.161278D+01  0.781493D+01 -0.140308D+02 -0.565280D+01
      2  -0.579690D+01  0.308845D+01  0.694551D+01  0.121537D+02  0.665799D+01
      3  -0.676232D+01 -0.470123D+01 -0.147604D+02  0.187710D+01 -0.100518D+01
      4  -0.195340D+01  0.344759D+00 -0.724593D+01 -0.146696D+01  0.273782D+00
      5   0.773000D+01 -0.717882D+01 -0.194768D+02 -0.359393D+01 -0.576455D+00
      6  -0.926164D+00  0.505493D+01 -0.161629D+01 -0.767704D+00 -0.198627D+01
                21            22            23            24            25 
      1  -0.127679D+01  0.375169D+01  0.586404D+01  0.184447D+01 -0.330047D+01
      2  -0.686788D+00 -0.383383D+01 -0.156430D+02  0.172479D+01 -0.113889D+01
      3   0.196358D+01  0.821440D-01  0.977899D+01 -0.356926D+01  0.443936D+01
      4   0.192912D+00 -0.108133D+02 -0.389877D+01 -0.311792D+00  0.356742D+01
      5   0.128377D+01  0.677347D+00 -0.331764D+00  0.212892D+01 -0.488545D-01
      6   0.641908D+00  0.841772D-01  0.464810D+00 -0.179650D+01  0.138803D+01
                26            27            28            29            30 
      1   0.537353D+01  0.525143D+01  0.908411D+00  0.643593D+01 -0.948515D+00
      2  -0.371105D+01  0.102360D+02  0.501145D+01 -0.357468D+01 -0.407780D+01
      3  -0.166248D+01 -0.154875D+02 -0.591986D+01 -0.286125D+01  0.502632D+01
      4  -0.195367D+01  0.913249D+00  0.569104D+01 -0.179350D+01 -0.588341D+01
      5   0.187159D+01  0.209770D+01  0.577241D+01 -0.463398D+01 -0.159857D+02
      6   0.296354D+01  0.539951D+01 -0.257229D+01  0.688069D+00 -0.335576D+01
                31            32            33            34            35 
      1   0.854552D+01  0.194388D+01 -0.291874D+01  0.871833D+01 -0.171476D+01
      2  -0.483522D+01  0.107901D+00  0.457137D+01 -0.507275D+01 -0.424153D+01
      3  -0.371031D+01 -0.205178D+01 -0.165263D+01 -0.364558D+01  0.595630D+01
      4   0.396210D+01 -0.388799D+01 -0.816839D+00 -0.104782D+02  0.429712D+01
      5  -0.105627D+02  0.430141D+00 -0.462297D+01 -0.210035D+02 -0.123321D+01
      6  -0.138782D+01 -0.647626D+01  0.102110D+01 -0.307883D+01 -0.602339D+01
                36            37            38            39            40 
      1  -0.557175D+01 -0.163215D+02 -0.890120D+01  0.738788D+01 -0.114322D+02
      2   0.970558D+01  0.196830D+01  0.286807D+01 -0.514244D+01  0.370557D+01
      3  -0.413383D+01  0.143532D+02  0.603313D+01 -0.224544D+01  0.772664D+01
      4   0.802221D+00 -0.135856D+02 -0.314857D+01  0.344634D+01  0.129255D+01
      5   0.169377D+02  0.741495D+01  0.102657D+01  0.101010D+02  0.438479D+01
      6  -0.220806D+01  0.204360D+01  0.227693D+01  0.168591D+01  0.312802D+01
                41            42            43            44            45 
      1  -0.117814D+02 -0.222696D+01  0.133670D+02  0.126877D+01 -0.300645D+01
      2   0.124319D+02  0.150153D+01 -0.963990D+01  0.226985D+00 -0.886366D+01
      3  -0.650497D+00  0.725428D+00 -0.372713D+01 -0.149575D+01  0.118701D+02
      4   0.749269D+01  0.777042D+01  0.113157D+02  0.974558D+01  0.518645D+01
      5   0.711743D+01  0.535843D+01  0.174815D+02  0.814355D+01  0.211422D+02
      6   0.731981D+01  0.822177D+01  0.453707D+01  0.105669D+02  0.831857D+01
                46            47            48            49            50 
      1  -0.511431D+00  0.218197D+02 -0.218690D+02  0.246010D+02 -0.766384D+01
      2  -0.292958D+00 -0.136368D+02  0.108622D+02 -0.166045D+02 -0.145106D+01
      3   0.804390D+00 -0.818290D+01  0.110068D+02 -0.799656D+01  0.911490D+01
      4   0.214050D+02 -0.566880D+01  0.212167D+01 -0.104310D+02 -0.274174D+02
      5  -0.238108D+02  0.289966D+01 -0.116246D+02  0.365269D+01 -0.424738D+01
      6   0.163459D+00  0.169938D+00  0.842280D+00 -0.735931D+00 -0.479890D+00
                51            52            53            54            55 
      1   0.550918D+01 -0.284349D+02  0.407165D+01 -0.965283D+01  0.162889D+02
      2  -0.677572D+00  0.122524D+02 -0.180642D+00  0.140031D+02 -0.136213D+02
      3  -0.483161D+01  0.161825D+02 -0.389101D+01 -0.435024D+01 -0.266763D+01
      4  -0.244854D+01  0.303687D+01 -0.155232D+01  0.137281D+02  0.695397D+01
      5   0.158171D+02 -0.192922D+02  0.145177D+02  0.277361D+02 -0.108996D+01
      6   0.812537D+00  0.166931D+01 -0.135860D+01 -0.149495D+01  0.633681D+01
                56            57            58            59            60 
      1  -0.677003D+01  0.742994D+00 -0.723398D+01 -0.153871D+02 -0.970832D+00
      2   0.109576D+02 -0.140782D+01  0.133428D+02  0.296694D+02  0.244305D+01
      3  -0.418758D+01  0.664823D+00 -0.610884D+01 -0.142823D+02 -0.147221D+01
      4  -0.553800D+01  0.484656D+01  0.386197D+01  0.158160D+02 -0.302360D+01
      5   0.213869D+01  0.129277D+01  0.188203D+01 -0.206092D+01  0.197242D+01
      6  -0.452240D+01  0.126875D+02 -0.479766D+01  0.402254D+01 -0.801426D+00
                61            62            63            64            65 
      1   0.278366D+01  0.466581D+00  0.358873D+01  0.258004D+02 -0.217893D+01
      2  -0.236467D+01  0.314484D+01 -0.589537D+01 -0.190684D+02 -0.517706D+00
      3  -0.418991D+00 -0.361142D+01  0.230663D+01 -0.673205D+01  0.269663D+01
      4   0.497588D+01 -0.295332D+01  0.117589D+02 -0.746615D+01  0.105363D+02
      5   0.357539D+01  0.404931D+01 -0.156115D+01 -0.205359D+02  0.484326D+01
      6   0.145525D+02 -0.382416D+01 -0.126207D+02  0.171140D+01 -0.314788D+01
                66            67            68            69            70 
      1  -0.929638D+01 -0.585591D+01 -0.125835D+01  0.798805D+00 -0.128157D+02
      2   0.116887D+02  0.416384D+01  0.352272D+01 -0.856744D+00  0.141071D+02
      3  -0.239236D+01  0.169207D+01 -0.226437D+01  0.579391D-01 -0.129141D+01
      4   0.539538D+01  0.106884D+02 -0.565471D+01 -0.859606D+01  0.469056D+01
      5   0.230236D+02  0.432155D+01 -0.100005D+02 -0.253264D+01  0.259832D+02
      6  -0.149567D+00 -0.339107D+01  0.248178D+01  0.814141D+01 -0.183235D+01
                71            72            73            74            75 
      1  -0.188273D+01 -0.274664D+01  0.826378D+00  0.131661D+00  0.865291D+00
      2   0.367652D+01 -0.205406D+02 -0.409605D+01  0.737232D-01  0.106463D+01
      3  -0.179378D+01  0.232873D+02  0.326967D+01 -0.205384D+00 -0.192992D+01
      4  -0.976288D+01 -0.714091D+01  0.351586D+00  0.146400D+01 -0.604733D+00
      5  -0.447861D+01 -0.399518D+02 -0.129039D+01  0.170078D+00  0.547835D+01
      6   0.859680D+01  0.478600D+00 -0.848358D+00 -0.717480D+00  0.381512D+00
                76            77            78            79            80 
      1   0.432515D+00 -0.363934D+01 -0.759447D+00  0.251755D+00  0.663619D+00
      2   0.572278D-01  0.788316D+00 -0.195228D+01  0.133691D+01 -0.289601D+01
      3  -0.489743D+00  0.285102D+01  0.271173D+01 -0.158866D+01  0.223239D+01
      4   0.169449D+01 -0.222798D+00 -0.401760D+00 -0.681070D+00 -0.252367D-01
      5   0.180265D+00 -0.776123D+00 -0.826294D+00  0.412490D+01  0.961532D-01
      6  -0.264856D+00  0.332779D+00  0.522480D+01 -0.810227D-02  0.383633D+01
                81            82            83            84            85 
      1  -0.157417D+02  0.183070D+01  0.229058D+01  0.233818D+01  0.292165D+01
      2  -0.149898D+02 -0.432052D+01 -0.932795D+00 -0.616214D+00 -0.168488D+01
      3   0.307315D+02  0.248982D+01 -0.135779D+01 -0.172196D+01 -0.123677D+01
      4   0.670566D+00  0.204873D+01  0.772796D+00  0.529133D+00  0.119053D+01
      5  -0.166392D+01  0.131866D+01  0.742225D+00  0.541792D+01  0.332136D+00
      6  -0.556811D+01  0.787099D+00 -0.292453D+00 -0.471920D+00  0.114360D+00
                86            87            88            89            90 
      1  -0.540684D+01 -0.271091D+01  0.359211D+01 -0.173601D+01 -0.164539D+02
      2   0.162647D+01 -0.154100D+01 -0.208984D+01 -0.329719D+01 -0.152230D+02
      3   0.378037D+01  0.425191D+01 -0.150227D+01  0.503320D+01  0.316770D+02
      4   0.678530D+00  0.301751D+01  0.720106D+00  0.351098D+01  0.374106D+01
      5   0.343637D+01  0.369920D+01  0.345728D+01  0.338949D+01  0.186579D+02
      6   0.310847D+01  0.723661D+01  0.180475D+00  0.441862D+01  0.301088D+01
                91            92            93            94            95 
      1   0.409754D+02  0.152332D+02  0.757151D+00  0.944982D+01  0.650995D+01
      2  -0.172951D+02 -0.479684D+01 -0.131049D+01 -0.145550D+01  0.753606D+00
      3  -0.236803D+02 -0.104364D+02  0.553335D+00 -0.799431D+01 -0.726356D+01
      4   0.240244D+02  0.149123D+02  0.151577D+01  0.143440D+02  0.116904D+02
      5   0.754878D+01  0.343853D+01  0.576601D+01  0.220058D+01  0.220481D+01
      6   0.163188D+01  0.172874D+01  0.166407D+01  0.138204D+01  0.116585D+01
                96            97            98            99           100 
      1   0.556375D+00 -0.107529D+02 -0.446356D+01  0.266871D+01 -0.285578D+01
      2  -0.806477D+00  0.326198D+01  0.527359D+00 -0.113193D+01  0.760862D+01
      3   0.250103D+00  0.749091D+01  0.393620D+01 -0.153678D+01 -0.475283D+01
      4   0.611503D+00 -0.733353D+01 -0.477472D+01  0.276437D+01 -0.101571D+02
      5   0.250270D+01  0.424636D+01  0.184006D+01 -0.322681D+00  0.370974D+01
      6   0.178834D+01  0.218563D+01  0.171607D+01 -0.457835D+00 -0.762715D+01
               101           102           103           104           105 
      1   0.761442D+01 -0.307236D+01  0.520821D+01 -0.120178D+02  0.439049D+01
      2  -0.136709D+02  0.456706D+01 -0.988452D+01  0.205654D+02 -0.690462D+01
      3   0.605652D+01 -0.149470D+01  0.467631D+01 -0.854754D+01  0.251413D+01
      4   0.144983D+02 -0.684050D+01  0.122328D+02 -0.121068D+02  0.559616D+01
      5  -0.375606D+01  0.426021D+01 -0.212021D+01  0.331649D+01 -0.191451D+01
      6   0.939410D+01 -0.852632D+01  0.709531D+01 -0.105020D+02  0.881330D+01
               106           107           108           109           110 
      1  -0.414461D+01  0.786049D+01 -0.660095D+01 -0.198662D+01  0.241438D+01
      2   0.482973D+01 -0.993658D+01  0.506214D+01  0.248539D+01 -0.365763D+01
      3  -0.685124D+00  0.207609D+01  0.153882D+01 -0.498778D+00  0.124325D+01
      4  -0.862875D+01  0.787830D+01 -0.724203D+01 -0.103846D+01  0.459255D+01
      5   0.408798D+01 -0.339069D+01  0.381974D+01 -0.110337D+01  0.391688D+00
      6  -0.880409D+01  0.124486D+02 -0.112503D+02  0.104035D+01 -0.359970D+01
               111           112           113           114           115 
      1   0.174691D+01  0.947403D+00 -0.477810D+01 -0.277530D+01  0.125778D+01
      2  -0.219952D+01 -0.173177D+01  0.675134D+01  0.383691D+01 -0.162591D+01
      3   0.452609D+00  0.784362D+00 -0.197324D+01 -0.106160D+01  0.368129D+00
      4   0.106695D+01  0.422926D+01 -0.216336D+01 -0.247508D+01  0.454883D+01
      5   0.212158D+01  0.142781D+00 -0.107282D+01 -0.856723D+00  0.163045D+01
      6  -0.489335D+01 -0.299717D+01  0.458071D+01  0.796464D+01 -0.548120D+01
               116           117           118           119           120 
      1  -0.832874D+01 -0.892768D+01  0.559615D+02 -0.117205D+02  0.172728D+02
      2   0.989984D+01  0.383457D+01 -0.300478D+02  0.571663D+01 -0.993440D+01
      3  -0.157110D+01  0.509311D+01 -0.259137D+02  0.600391D+01 -0.733838D+01
      4  -0.322151D+01 -0.402812D+01 -0.122019D+02  0.109992D+02 -0.386281D+01
      5  -0.116805D+01 -0.185485D+01  0.201445D+02 -0.445571D+01  0.153680D+02
      6   0.110449D+02  0.223472D+02 -0.268893D+00  0.531216D+00 -0.196071D+00
               121           122           123           124           125 
      1  -0.208880D+02  0.887908D+01 -0.458503D+01  0.264850D+02 -0.391610D+01
      2   0.107710D+02 -0.240843D+01  0.219358D+01 -0.157639D+02  0.203680D+01
      3   0.101170D+02 -0.647065D+01  0.239144D+01 -0.107211D+02  0.187930D+01
      4   0.137558D+02 -0.723883D+01  0.544387D+01 -0.515711D+01  0.707653D+01
      5  -0.650569D+01  0.568299D+01 -0.811296D+01  0.200302D+02 -0.647005D+01
      6   0.140843D+01 -0.158495D+01  0.200774D+01 -0.962674D+00  0.230739D+01
               126           127           128           129           130 
      1   0.121385D+02  0.743072D+01 -0.335995D+01 -0.538791D+01 -0.695540D+01
      2  -0.107783D+02 -0.660388D+01  0.226269D+01  0.465739D+01  0.457411D+01
      3  -0.136024D+01 -0.826840D+00  0.109726D+01  0.730526D+00  0.238129D+01
      4  -0.573504D+01 -0.322730D+01  0.292562D+01  0.107128D+01  0.502837D+01
      5   0.139114D+02 -0.662908D+01  0.139933D+01  0.112781D+02  0.370739D+01
      6  -0.110545D+01  0.921148D+00 -0.102999D+00  0.528608D-01 -0.178141D+01
               131           132           133           134           135 
      1   0.468416D+00 -0.344967D+00 -0.106835D+02 -0.109913D+01  0.109209D+01
      2  -0.464313D+00 -0.210571D+01  0.104045D+02 -0.102204D+01 -0.180412D+02
      3  -0.410313D-02  0.245068D+01  0.279042D+00  0.212118D+01  0.169491D+02
      4  -0.179288D+01 -0.636785D+01  0.133519D+01 -0.808843D+01 -0.669007D+01
      5  -0.594438D+01 -0.933567D+01  0.197274D+02 -0.645603D+01 -0.416390D+02
      6   0.266235D+01  0.471484D+01 -0.114057D+01  0.495375D+01  0.215579D+01
               136           137           138           139           140 
      1   0.369102D+01  0.478801D+01  0.223408D+01  0.130194D+02  0.160953D+01
      2   0.114140D+01  0.232059D+00 -0.125505D+01 -0.383941D+01  0.132346D+02
      3  -0.483241D+01 -0.502007D+01 -0.979025D+00 -0.917998D+01 -0.148441D+02
      4   0.692451D+01  0.122885D+02 -0.296282D+00  0.167284D+02  0.414848D+02
      5   0.196496D+01 -0.547607D+00  0.287140D+01 -0.116692D+01  0.135511D+01
      6  -0.316434D+00 -0.673172D+00  0.961095D+00  0.981450D-01 -0.992498D+00
               141           142           143           144           145 
      1  -0.900302D+00  0.376128D+01 -0.531276D+00  0.991028D+00 -0.772498D+01
      2   0.757685D+00 -0.172028D+01  0.458364D+00 -0.114214D+01  0.800669D+01
      3   0.142617D+00 -0.204100D+01  0.729124D-01  0.151112D+00 -0.281714D+00
      4   0.233375D+00  0.937113D-01  0.892585D+00  0.331476D+01  0.161917D+02
      5   0.570119D+01  0.529898D+01  0.397661D+01 -0.233569D+01 -0.301905D+01
      6   0.412740D+01  0.108290D+01  0.513032D+01  0.519274D+00 -0.941065D+01
               146           147           148           149           150 
      1  -0.123180D+02  0.601863D+01 -0.794673D+01 -0.880443D+01  0.409032D+01
      2   0.147099D+02 -0.352448D+01  0.991023D+01  0.121153D+02 -0.444145D+01
      3  -0.239187D+01 -0.249415D+01 -0.196349D+01 -0.331089D+01  0.351138D+00
      4   0.821887D+01 -0.644717D+01  0.835299D+01  0.578471D+01 -0.234142D+01
      5  -0.213992D+01  0.272473D+01 -0.130661D+01 -0.103846D+01 -0.241586D-01
      6  -0.663089D+01  0.788963D+01 -0.492222D+01 -0.613138D+01  0.675723D+01
               151           152           153           154           155 
      1   0.620095D+01  0.625164D+01 -0.758231D+01 -0.120698D+01 -0.224650D+01
      2  -0.316528D+01 -0.652968D+01  0.367440D+01  0.167284D+01  0.812174D+00
      3  -0.303566D+01  0.278045D+00  0.390791D+01 -0.465856D+00  0.143432D+01
      4  -0.691140D+01 -0.166335D+01  0.276270D+01 -0.173002D+01  0.573837D+01
      5   0.337120D+01 -0.507867D+00 -0.221971D+01 -0.133869D+01  0.537621D+00
      6   0.639461D+01  0.894224D+01 -0.609342D+01  0.206016D+01  0.665647D-01
               156           157           158           159           160 
      1  -0.144478D+01 -0.109857D+01 -0.667559D+01 -0.559230D+01 -0.215666D+01
      2   0.828624D+00  0.882157D-02  0.913770D+01  0.745498D+01  0.101619D+01
      3   0.616151D+00  0.108975D+01 -0.246211D+01 -0.186269D+01  0.114046D+01
      4   0.217132D+01  0.444277D+01 -0.378331D+01 -0.274420D+01  0.440554D+01
      5   0.406670D+01 -0.903118D-01 -0.290970D+01 -0.321341D+01  0.454306D+01
      6  -0.389583D+00 -0.112785D+00  0.881577D+01  0.124344D+02 -0.119519D+01
               161           162           163           164           165 
      1  -0.996471D+01 -0.113764D+02  0.125399D+02 -0.187436D+01  0.288390D+01
      2   0.124858D+02  0.427024D+01  0.460322D+00 -0.938964D+01 -0.431405D+00
      3  -0.252110D+01  0.710615D+01 -0.130002D+02  0.112640D+02 -0.245249D+01
      4  -0.630741D+01 -0.607274D+01 -0.270008D+02  0.240609D+02 -0.114796D+02
      5  -0.599681D+01 -0.128038D+02  0.113703D+02 -0.736008D+01  0.942207D+01
      6   0.161622D+02  0.282201D+02 -0.110604D+02  0.863247D+01 -0.943110D+01
               166           167           168           169           170 
      1  -0.113149D+01 -0.328658D+01  0.201561D+01  0.362551D+01  0.295804D+01
      2  -0.725191D+01  0.140257D+02 -0.468899D+01 -0.987064D+00 -0.629754D+01
      3   0.838340D+01 -0.107391D+02  0.267337D+01 -0.263844D+01  0.333950D+01
      4   0.182429D+02 -0.195749D+02  0.769013D+01 -0.124076D+02  0.108684D+02
      5  -0.472016D+01  0.648822D+01 -0.481881D+01  0.961839D+01 -0.739688D+01
      6   0.644974D+01 -0.976193D+01  0.912079D+01 -0.828846D+01  0.117840D+02
               171 
      1  -0.182101D+01
      2   0.114960D+01
      3   0.671413D+00
      4  -0.102327D+02
      5   0.835151D+01
      6  -0.884148D+01
 Leave Link  716 at Sun Sep 26 20:25:29 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.885055D+02  0.216710D+01 -0.143892D+01
      2   0.216710D+01  0.811768D+02  0.178954D+01
      3  -0.143892D+01  0.178954D+01  0.728566D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.122531D+01  0.476198D-01  0.167232D+01
      2   0.282304D+01 -0.507234D+01  0.246951D+02
      3   0.600943D+01 -0.372857D+02  0.553069D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.817418D+02 -0.178707D+02  0.778873D+01
      2  -0.360468D+02  0.128893D+02 -0.362280D+01
      3  -0.456950D+02  0.498146D+01 -0.416593D+01
      4  -0.248102D+02  0.636853D+02 -0.169550D+02
      5   0.809599D+01 -0.175882D+02  0.356504D+02
      6  -0.574857D+01 -0.200230D+01 -0.108325D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.100756D+01  0.472725D+01 -0.397579D+01  0.378752D+01 -0.113779D+01
      2   0.472725D+01 -0.146713D+01  0.559088D+00 -0.113779D+01 -0.349730D+01
      3  -0.397579D+01  0.559088D+00 -0.316337D+00  0.378470D+00 -0.276654D+00
                 6             7             8             9            10 
      1   0.378470D+00 -0.418437D+01  0.427412D+00 -0.374908D+00  0.232984D+00
      2  -0.276654D+00  0.427412D+00 -0.803233D+00  0.370837D+01 -0.451344D+01
      3   0.287521D+01 -0.374908D+00  0.370837D+01  0.464690D+01  0.250161D+01
                11            12            13            14            15 
      1  -0.451344D+01  0.250161D+01 -0.634895D+01  0.171758D+01 -0.676530D-01
      2   0.204563D+01 -0.154910D+00  0.171758D+01  0.443375D+01 -0.161114D+00
      3  -0.154910D+00  0.838466D+00 -0.676530D-01 -0.161114D+00 -0.251019D+01
                16            17            18            19            20 
      1   0.508781D+01 -0.175735D+00  0.127429D+01 -0.122310D+01  0.555787D+01
      2  -0.175735D+00  0.721141D+00 -0.299753D+01  0.555787D+01 -0.302197D+00
      3   0.127429D+01 -0.299753D+01 -0.808088D+01 -0.989576D+00  0.190776D+00
                21            22            23            24            25 
      1  -0.989576D+00  0.428361D+01 -0.979426D+00  0.255839D+00 -0.460708D+01
      2   0.190776D+00 -0.979426D+00 -0.261148D+01 -0.148256D+00 -0.214693D+00
      3  -0.683111D+00  0.255839D+00 -0.148256D+00  0.146375D+01 -0.873638D+00
                26            27            28            29            30 
      1  -0.214693D+00 -0.873638D+00 -0.112036D+01 -0.245948D+01 -0.360583D+00
      2  -0.196587D+01  0.170737D+01 -0.245948D+01  0.607607D+00  0.849866D+00
      3   0.170737D+01  0.645363D+01 -0.360583D+00  0.849866D+00  0.135255D+01
                31            32            33            34            35 
      1  -0.191477D+01 -0.310627D+00  0.115690D+01 -0.219498D+01  0.910526D+00
      2  -0.310627D+00 -0.117433D+01  0.318692D+00  0.910526D+00  0.176780D+00
      3   0.115690D+01  0.318692D+00 -0.494659D+00  0.236071D+01 -0.253458D+00
                36            37            38            39            40 
      1   0.236071D+01  0.502944D+01  0.191785D+01 -0.171314D+01  0.155259D+01
      2  -0.253458D+00  0.191785D+01  0.135962D+01 -0.276857D+00  0.822021D+00
      3  -0.397708D+01 -0.171314D+01 -0.276857D+00 -0.626942D-01 -0.653238D+00
                41            42            43            44            45 
      1   0.822021D+00 -0.653238D+00 -0.365724D+01 -0.149928D+01 -0.195898D+01
      2  -0.161464D+01 -0.172898D+01 -0.149928D+01 -0.252544D+01 -0.150255D+01
      3  -0.172898D+01 -0.467789D+00 -0.195898D+01 -0.150255D+01 -0.392765D+01
                46            47            48            49            50 
      1   0.318263D+00  0.363261D+01 -0.343165D+01  0.442099D+01 -0.188619D+01
      2   0.363261D+01 -0.928252D+00  0.359482D+00 -0.188619D+01 -0.583790D+01
      3  -0.343165D+01  0.359482D+00 -0.184500D+01  0.522451D+00 -0.402443D+00
                51            52            53            54            55 
      1   0.522451D+00 -0.526029D+01  0.255752D+00 -0.293722D+01  0.239510D+01
      2  -0.402443D+00  0.255752D+00 -0.604648D+00  0.255915D+01 -0.239290D+01
      3   0.273500D+01 -0.293722D+01  0.255915D+01  0.548985D+01  0.118306D+01
                56            57            58            59            60 
      1  -0.239290D+01  0.118306D+01 -0.121696D+01  0.253930D+01 -0.807696D+00
      2   0.304456D+01 -0.539289D+00  0.253930D+01  0.401583D+01  0.605374D+00
      3  -0.539289D+00  0.247139D+01 -0.807696D+00  0.605374D+00 -0.136762D+01
                61            62            63            64            65 
      1   0.184210D+01 -0.108972D+01  0.270724D+01 -0.494542D+01  0.837480D+00
      2  -0.108972D+01  0.784996D+00 -0.142192D+01  0.837480D+00 -0.150164D+01
      3   0.270724D+01 -0.142192D+01 -0.301588D+01  0.335259D+01 -0.711355D+00
                66            67            68            69            70 
      1   0.335259D+01  0.150659D+01 -0.132439D+01 -0.615464D+00  0.544069D+01
      2  -0.711355D+00 -0.132439D+01  0.204834D+01  0.202754D+01 -0.115500D+00
      3  -0.259022D+01 -0.615464D+00  0.202754D+01  0.772077D+00 -0.338221D+01
                71            72            73            74            75 
      1  -0.115500D+00 -0.338221D+01  0.565899D+00 -0.690455D+00 -0.103708D+01
      2   0.295129D+01  0.906537D+00 -0.690455D+00  0.369497D+00  0.325146D-01
      3   0.906537D+00  0.865337D+01 -0.103708D+01  0.325146D-01  0.931487D+00
                76            77            78            79            80 
      1  -0.938096D+00  0.231419D+00 -0.175761D-01 -0.125858D+01  0.118599D+00
      2   0.231419D+00  0.801529D-01 -0.105957D+01  0.118599D+00 -0.139112D+01
      3  -0.175761D-01 -0.105957D+01 -0.720910D+00  0.321828D+00 -0.305481D+00
                81            82            83            84            85 
      1   0.321828D+00 -0.186242D+00  0.955992D+00  0.789396D+00  0.116982D+01
      2  -0.305481D+00  0.955992D+00 -0.405184D+00  0.103098D-01 -0.259767D+00
      3  -0.750703D+01  0.789396D+00  0.103098D-01 -0.181502D+00  0.128288D-01
                86            87            88            89            90 
      1  -0.259767D+00  0.128288D-01  0.127351D+01 -0.281933D-01 -0.489689D-01
      2   0.327441D+00  0.139406D+01 -0.281933D-01  0.189557D+01  0.137361D+01
      3   0.139406D+01  0.153815D+01 -0.489689D-01  0.137361D+01  0.808604D+01
                91            92            93            94            95 
      1  -0.805654D+01 -0.355098D+01 -0.503267D+00 -0.284500D+01 -0.204960D+01
      2  -0.355098D+01 -0.263395D+01 -0.307199D+00 -0.204960D+01 -0.201831D+01
      3  -0.503267D+00 -0.307199D+00 -0.120413D+01 -0.946193D-01 -0.283386D+00
                96            97            98            99           100 
      1  -0.946193D-01  0.225546D+01  0.107637D+01 -0.722442D+00 -0.197071D+01
      2  -0.283386D+00  0.107637D+01  0.670215D+00 -0.344800D+00  0.257601D+01
      3  -0.553400D+00 -0.722442D+00 -0.344800D+00 -0.646178D-03 -0.132014D+01
               101           102           103           104           105 
      1   0.257601D+01 -0.132014D+01  0.215160D+01 -0.229880D+01  0.108857D+01
      2  -0.322831D+01  0.141702D+01 -0.229880D+01  0.451538D+01 -0.155704D+01
      3   0.141702D+01 -0.138933D+01  0.108857D+01 -0.155704D+01  0.136197D+01
               106           107           108           109           110 
      1  -0.216888D+01  0.166858D+01 -0.159402D+01 -0.212438D+00  0.793318D+00
      2   0.166858D+01 -0.310966D+01  0.201557D+01  0.793318D+00 -0.808002D+00
      3  -0.159402D+01  0.201557D+01 -0.214783D+01  0.302070D+00 -0.581212D+00
               111           112           113           114           115 
      1   0.302070D+00  0.740451D+00 -0.390758D+00 -0.527657D+00  0.134807D+01
      2  -0.581212D+00 -0.390758D+00  0.145374D+01  0.862651D+00 -0.507334D+00
      3  -0.898096D+00 -0.527657D+00  0.862651D+00  0.121180D+01 -0.104070D+01
               116           117           118           119           120 
      1  -0.507334D+00 -0.104070D+01  0.747837D+01 -0.179749D+01  0.251314D+01
      2   0.271613D+01  0.198482D+01 -0.179749D+01  0.135433D+01 -0.580584D+00
      3   0.198482D+01  0.474137D+01  0.251314D+01 -0.580584D+00  0.187544D+01
               121           122           123           124           125 
      1  -0.341835D+01  0.183407D+01 -0.760351D+00  0.448307D+01 -0.716308D+00
      2   0.183407D+01 -0.831290D+00  0.797689D+00 -0.716308D+00  0.107167D+01
      3  -0.760351D+00  0.797689D+00 -0.112776D+01  0.246668D+01 -0.953572D+00
               126           127           128           129           130 
      1   0.246668D+01  0.118394D+01 -0.527787D+00 -0.977324D+00 -0.130313D+01
      2  -0.953572D+00 -0.527787D+00  0.287607D+00  0.108729D+00  0.690758D+00
      3   0.172386D+01 -0.977324D+00  0.108729D+00  0.975510D+00  0.474933D+00
               131           132           133           134           135 
      1   0.690758D+00  0.474933D+00 -0.230566D+01  0.175541D+00  0.258096D+01
      2  -0.253886D+00 -0.113486D+01  0.175541D+00 -0.143992D+01 -0.104313D+01
      3  -0.113486D+01 -0.166147D+01  0.258096D+01 -0.104313D+01 -0.733457D+01
               136           137           138           139           140 
      1   0.559448D+00  0.125126D+01  0.343862D+00  0.259834D+01  0.208073D+01
      2   0.125126D+01  0.127767D+01 -0.395576D-01  0.208073D+01  0.791589D+01
      3   0.343862D+00 -0.395576D-01  0.340270D+00 -0.160340D+00 -0.261128D-01
               141           142           143           144           145 
      1  -0.160340D+00  0.635963D+00  0.289874D-01  0.715390D+00 -0.554831D+01
      2  -0.261128D-01  0.289874D-01  0.238712D+00  0.714418D+00 -0.211788D+01
      3   0.880758D+00  0.715390D+00  0.714418D+00 -0.434243D+00  0.181115D+01
               146           147           148           149           150 
      1  -0.211788D+01  0.181115D+01 -0.137555D+01 -0.182114D+01  0.683762D+00
      2  -0.289451D+01  0.923311D+00 -0.182114D+01 -0.187532D+01  0.915718D+00
      3   0.923311D+00 -0.142881D+01  0.683762D+00  0.915718D+00 -0.984646D+00
               151           152           153           154           155 
      1   0.195571D+01  0.851362D+00 -0.128790D+01 -0.160216D+00 -0.950682D+00
      2   0.851362D+00  0.158291D+01 -0.144823D+01 -0.950682D+00  0.213811D+00
      3  -0.128790D+01 -0.144823D+01  0.118438D+01 -0.563304D+00  0.315111D-01
               156           157           158           159           160 
      1  -0.563304D+00 -0.618641D+00  0.139639D+00  0.131058D-02 -0.102231D+01
      2   0.315111D-01  0.139639D+00 -0.171604D+01 -0.153324D+01  0.120698D+00
      3   0.131043D+00  0.131058D-02 -0.153324D+01 -0.165451D+01  0.213341D+00
               161           162           163           164           165 
      1   0.120698D+00  0.213341D+00  0.465233D+01 -0.324854D+01  0.207497D+01
      2  -0.316457D+01 -0.277796D+01 -0.324854D+01  0.360884D+01 -0.129164D+01
      3  -0.277796D+01 -0.616081D+01  0.207497D+01 -0.129164D+01  0.168307D+01
               166           167           168           169           170 
      1  -0.223207D+01  0.240298D+01 -0.870471D+00  0.233702D+01 -0.128706D+01
      2   0.240298D+01 -0.336002D+01  0.138993D+01 -0.128706D+01  0.219504D+01
      3  -0.870471D+00  0.138993D+01 -0.129576D+01  0.158055D+01 -0.192123D+01
               171 
      1   0.158055D+01
      2  -0.192123D+01
      3   0.160721D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.736529D+01  0.597248D+00 -0.113646D+00  0.114890D+00 -0.367280D+01
      2  -0.464399D+01 -0.138467D+00  0.244427D+01 -0.325107D+00  0.297329D+00
      3  -0.872396D+01 -0.132516D+02  0.818193D+01 -0.594377D+01  0.649293D+01
                 6             7             8             9            10 
      1   0.462053D+01 -0.625787D+00  0.117213D+02  0.103799D+02  0.640918D-01
      2   0.292222D+01 -0.139344D+01  0.386529D+01  0.506459D+01  0.427071D+01
      3  -0.474733D+00  0.865645D+01 -0.419242D+00 -0.390356D+01  0.619278D+01
                11            12            13            14            15 
      1   0.150038D+00  0.174185D+00 -0.447890D+00  0.233870D+01 -0.361228D+01
      2  -0.142091D+00  0.375961D+01 -0.103561D+01 -0.318405D+00 -0.341570D+01
      3  -0.440351D+01 -0.551425D+00  0.225544D+01 -0.711534D+01  0.489454D+00
                16            17            18            19            20 
      1   0.234315D-01  0.326277D+01 -0.296798D+01 -0.171418D+01 -0.141741D+01
      2  -0.298719D+01 -0.392946D+01 -0.101644D+02  0.267283D+01 -0.679100D+00
      3   0.168967D+01 -0.613386D+00  0.377805D+01  0.127668D+01 -0.367443D+01
                21            22            23            24            25 
      1  -0.348815D+00 -0.377774D+00  0.356226D+01 -0.120498D+01  0.624523D+00
      2   0.225891D+01  0.809820D+00 -0.227522D+01  0.124078D+01 -0.786263D+01
      3   0.100785D+01  0.209615D+01 -0.356802D+01  0.137044D+01 -0.360447D+01
                26            27            28            29            30 
      1   0.415799D+01 -0.383877D+01  0.543918D+00  0.262936D+01  0.223555D+01
      2   0.116179D+00  0.650520D-01 -0.616560D+01  0.673938D+00 -0.176216D+01
      3   0.134916D+01 -0.593555D+00 -0.104728D+02  0.420901D+01 -0.174935D+01
                31            32            33            34            35 
      1  -0.183160D+00 -0.590539D+01 -0.589717D+01  0.203591D+01 -0.236393D+01
      2   0.351278D+01  0.236218D+01 -0.163117D+01 -0.341240D+01 -0.949739D+00
      3   0.150965D+02  0.823082D+01 -0.239205D+01 -0.702034D+01 -0.710629D+01
                36            37            38            39            40 
      1   0.469516D+01 -0.235106D+01  0.361591D+00 -0.809549D+00 -0.841276D+00
      2   0.949440D+01  0.671629D+01  0.221511D+01  0.178216D+01 -0.909277D+00
      3  -0.164057D+01  0.193904D+01 -0.825718D+00  0.802907D+00  0.201641D+01
                41            42            43            44            45 
      1   0.168066D+01 -0.226963D+01  0.230394D+01  0.519329D+01 -0.262524D+01
      2   0.318913D+01  0.127804D+01 -0.536658D+01  0.109301D+01  0.769849D+01
      3  -0.509501D+01 -0.265672D+01  0.253342D+01 -0.144782D+01 -0.178031D+01
                46            47            48            49            50 
      1   0.515720D+00  0.651425D+00  0.201389D+00  0.149241D+01  0.214833D+01
      2  -0.111292D+02  0.149035D+01 -0.476195D+01  0.249902D+01 -0.157911D+01
      3  -0.919603D+01  0.228366D+01 -0.209230D+01  0.114542D+02  0.188103D+02
                51            52            53            54            55 
      1  -0.295008D+01  0.117757D+01  0.103987D+01 -0.234555D+01 -0.164508D+01
      2   0.765694D+01 -0.135840D+02  0.702370D+01  0.149544D+02  0.153438D+01
      3   0.447685D+00 -0.352657D+01  0.140126D+01 -0.850137D+01  0.675438D+01
                56            57            58            59            60 
      1   0.231156D+01 -0.730214D+01  0.177644D+01 -0.399440D+01 -0.950763D+00
      2   0.662952D+00  0.425637D+01  0.383943D+00  0.162708D+01  0.153018D+00
      3  -0.113204D+02  0.249278D+01  0.196572D+01  0.683879D+01 -0.206222D+01
                61            62            63            64            65 
      1  -0.740830D+01  0.881431D+01  0.732887D+01 -0.152877D+00 -0.380026D+01
      2  -0.829878D+00  0.275540D+00 -0.866135D+00  0.323235D+00  0.140333D+01
      3   0.319534D+01 -0.229502D+01  0.790768D+01  0.226095D+01 -0.698035D+01
                66            67            68            69            70 
      1   0.101058D+00 -0.215515D+00  0.153550D+01 -0.980568D+00 -0.109273D+01
      2   0.790657D+01  0.298410D+00 -0.486127D+01 -0.118010D+01 -0.269036D+01
      3  -0.340258D+00 -0.249155D+01  0.345097D+00  0.448543D+01  0.404373D+01
                71            72            73            74            75 
      1   0.705506D+01 -0.750847D+00  0.994272D+00 -0.458423D+00 -0.137037D-01
      2  -0.211981D+01 -0.160289D+02  0.540671D+00 -0.279091D+00  0.276163D+00
      3   0.683326D+01  0.250358D+01  0.109115D+00 -0.872384D+00 -0.681752D+00
                76            77            78            79            80 
      1  -0.596299D-01  0.832567D+00 -0.323077D-01 -0.239754D+00  0.389231D+01
      2  -0.745168D+00  0.163961D+00 -0.321099D+00 -0.362887D+01  0.149516D+00
      3   0.141630D+01  0.147557D+00 -0.988743D-01  0.834595D-01  0.208500D+00
                81            82            83            84            85 
      1   0.391323D+01  0.111302D+01 -0.616022D+00 -0.492312D-01 -0.253823D+00
      2   0.491827D+00  0.130827D+01 -0.571339D+00  0.396209D-01 -0.143601D+01
      3  -0.490859D+00 -0.125623D+01 -0.675664D+00 -0.101185D+00  0.146519D+01
                86            87            88            89            90 
      1   0.118005D+01 -0.200821D+00 -0.427438D+00  0.432871D+01  0.215962D+01
      2   0.216500D+01  0.195558D+01 -0.423044D+01  0.218232D+01  0.101568D+02
      3  -0.459600D+00 -0.157128D+01  0.279995D+00 -0.204834D+01 -0.160901D+01
                91            92            93            94            95 
      1   0.307239D+01  0.196698D+01 -0.116364D+01  0.183786D+01  0.153186D+01
      2  -0.578680D+01 -0.275804D+01  0.313924D+01 -0.275027D+01 -0.153263D+01
      3   0.245658D+00 -0.398638D+01 -0.564806D+00 -0.815316D+00 -0.283463D+01
                96            97            98            99           100 
      1  -0.514285D+00 -0.115120D+01 -0.295887D+00  0.700909D+00  0.259225D+01
      2   0.148097D+01  0.224434D+01  0.108070D+01 -0.157496D+01 -0.180495D+01
      3   0.335130D+00  0.431639D+00  0.135941D+01 -0.332498D+00 -0.594022D+01
               101           102           103           104           105 
      1  -0.253049D+01  0.419118D+01 -0.238818D+01  0.229861D+01 -0.372369D+01
      2   0.373868D+00  0.554901D+00  0.778582D+00 -0.419234D+00 -0.262953D+00
      3   0.478301D+01 -0.334373D+01  0.727352D+01 -0.524504D+01  0.294400D+01
               106           107           108           109           110 
      1   0.364659D+01 -0.271620D+01  0.439131D+01 -0.852011D+00  0.110634D+01
      2  -0.170321D+01  0.277385D+00 -0.298024D-02  0.630775D+00 -0.195240D-01
      3  -0.622838D+01  0.397393D+01 -0.426738D+01 -0.976582D+00  0.629592D+00
               111           112           113           114           115 
      1   0.313941D+01  0.120964D+01 -0.269076D+01 -0.355896D+01  0.336331D+01
      2  -0.228020D+00  0.191398D+00  0.223480D+00 -0.786093D-01 -0.257217D+01
      3   0.729113D+00  0.189689D+01 -0.149089D+01 -0.151128D+01  0.393587D+01
               116           117           118           119           120 
      1  -0.334356D+01 -0.125277D+02 -0.313561D+00  0.512696D+00  0.304795D+00
      2   0.216735D+00  0.918007D+00  0.759969D+01 -0.218197D+01  0.804362D+01
      3  -0.155817D+01 -0.367152D+01  0.628630D+01 -0.697849D+01  0.274298D+01
               121           122           123           124           125 
      1  -0.143192D+00 -0.502143D+00 -0.724932D+00 -0.209548D+00  0.148205D+01
      2  -0.230135D+01  0.245933D+01 -0.449648D+01  0.603961D+01 -0.310757D+01
      3  -0.465539D+01  0.359500D+01 -0.235136D+01  0.285900D+01 -0.433676D+01
               126           127           128           129           130 
      1   0.123937D+00  0.489093D+00 -0.350402D+00 -0.517858D+00 -0.931060D-01
      2   0.600677D+01 -0.246315D+01  0.149196D+00  0.384282D+01  0.280260D+00
      3   0.350702D+01  0.180567D+01 -0.191684D+01 -0.717845D+00 -0.108174D+01
               131           132           133           134           135 
      1   0.972701D+00 -0.129549D+00 -0.673432D+00  0.368776D+01  0.215085D+01
      2  -0.288115D+01 -0.476786D+01  0.338786D+01 -0.320177D+01 -0.207930D+02
      3   0.918804D+00  0.288008D+01 -0.540422D+00  0.480785D+01  0.425793D+01
               136           137           138           139           140 
      1  -0.351840D+00 -0.359613D+00 -0.647225D+00 -0.172721D+00 -0.176026D+01
      2   0.106043D+01 -0.169505D-01  0.143440D+01 -0.611748D-01  0.411583D+00
      3  -0.344019D+01 -0.303418D+01  0.260824D+00 -0.627113D+00 -0.240428D+02
               141           142           143           144           145 
      1  -0.253339D+01 -0.557567D+00  0.664529D+00  0.271075D+00  0.334773D+01
      2   0.320180D+01  0.616884D+00  0.186807D+01 -0.122507D+01  0.507651D+01
      3  -0.100230D+00  0.388465D+00 -0.613057D+00 -0.121691D+01  0.171714D+02
               146           147           148           149           150 
      1  -0.798009D-01 -0.374010D+01  0.510542D+00  0.109741D+01 -0.269842D+01
      2   0.117173D+01 -0.225361D+00  0.100255D+01  0.166451D+01 -0.340543D+00
      3   0.461793D+01 -0.497367D+01  0.622741D+01  0.485974D+01 -0.252645D+01
               151           152           153           154           155 
      1  -0.282147D+01 -0.993545D+00  0.188701D+01 -0.137169D+01  0.828488D-01
      2  -0.350304D+01 -0.141834D+01  0.958780D+00 -0.793239D+00  0.193674D+00
      3  -0.563297D+01 -0.239544D+01  0.412610D+01  0.188825D+01  0.714088D+00
               156           157           158           159           160 
      1   0.419631D-01  0.149439D+00 -0.307488D+01 -0.541784D+01  0.319048D+00
      2   0.671843D+00 -0.312919D+00 -0.149892D+01 -0.144970D+01 -0.246047D+01
      3   0.102148D+01  0.239815D+01  0.142012D+01  0.147492D+01  0.294183D+01
               161           162           163           164           165 
      1  -0.335395D+01 -0.148791D+02  0.338510D+01 -0.757667D+00  0.431639D+01
      2  -0.269691D+01 -0.631613D+01  0.320327D+00 -0.647870D+00  0.299872D+01
      3   0.338257D+01  0.285673D+01 -0.701853D+01  0.884757D-01 -0.302159D+01
               166           167           168           169           170 
      1  -0.118218D+01  0.152228D+01 -0.365260D+01  0.280720D+01 -0.163874D+01
      2   0.120112D+00  0.802352D+00 -0.194514D+01 -0.321792D+00 -0.181410D+01
      3   0.431087D+01 -0.718568D+00  0.592024D+00 -0.448571D+01 -0.482412D+00
               171 
      1   0.283140D+01
      2   0.188857D+01
      3  -0.929548D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.102024D+02  0.919057D+01 -0.841917D+01  0.611272D+01 -0.125628D+02
      2  -0.142196D+02 -0.131012D+01  0.350279D+01 -0.127226D+00  0.176096D+02
      3   0.401720D+01 -0.788045D+01  0.491639D+01 -0.598550D+01 -0.504681D+01
      4   0.733158D+01 -0.207098D+02  0.159813D+02 -0.177335D+02 -0.103629D+01
      5  -0.790212D+01  0.823033D+01 -0.559166D+01  0.576419D+01 -0.183311D+01
      6   0.196619D+02 -0.276613D+01  0.123874D+01 -0.203815D+01  0.303430D+01
                 6             7             8             9            10 
      1   0.122454D+01 -0.935459D+01  0.191690D+01  0.736510D+01 -0.138104D+02
      2   0.594114D+00  0.311591D+01  0.137428D+01 -0.108462D+02  0.100532D+02
      3  -0.181865D+01  0.623868D+01 -0.329118D+01  0.348105D+01  0.375720D+01
      4  -0.232526D+01  0.148614D+02 -0.431139D+01  0.874518D+01 -0.108810D+02
      5   0.668232D+01 -0.605619D+01  0.855966D+01  0.973631D+01  0.963005D+01
      6  -0.128303D+02  0.189418D+01 -0.175435D+02 -0.174038D+02 -0.348594D+01
                11            12            13            14            15 
      1  -0.120067D+02  0.754857D+01 -0.138924D+02  0.138694D+02  0.216198D+01
      2   0.575155D+01 -0.562575D+01  0.760453D+01 -0.141374D+02  0.128289D+01
      3   0.625512D+01 -0.192282D+01  0.628784D+01  0.267936D+00 -0.344487D+01
      4   0.675405D+01 -0.113458D+01  0.743608D+01  0.799802D+01  0.505182D-01
      5  -0.558617D+00  0.158236D+01 -0.773140D+00  0.183634D+00 -0.760417D+01
      6   0.951345D+00 -0.631856D+00  0.122995D+01 -0.270687D+00 -0.102106D+00
                16            17            18            19            20 
      1   0.125592D+02  0.161278D+01  0.781493D+01 -0.140308D+02 -0.565280D+01
      2  -0.579690D+01  0.308845D+01  0.694551D+01  0.121537D+02  0.665799D+01
      3  -0.676232D+01 -0.470123D+01 -0.147604D+02  0.187710D+01 -0.100518D+01
      4  -0.195340D+01  0.344759D+00 -0.724593D+01 -0.146696D+01  0.273782D+00
      5   0.773000D+01 -0.717882D+01 -0.194768D+02 -0.359393D+01 -0.576455D+00
      6  -0.926164D+00  0.505493D+01 -0.161629D+01 -0.767704D+00 -0.198627D+01
                21            22            23            24            25 
      1  -0.127679D+01  0.375169D+01  0.586404D+01  0.184447D+01 -0.330047D+01
      2  -0.686788D+00 -0.383383D+01 -0.156430D+02  0.172479D+01 -0.113889D+01
      3   0.196358D+01  0.821440D-01  0.977899D+01 -0.356926D+01  0.443936D+01
      4   0.192912D+00 -0.108133D+02 -0.389877D+01 -0.311792D+00  0.356742D+01
      5   0.128377D+01  0.677347D+00 -0.331764D+00  0.212892D+01 -0.488545D-01
      6   0.641908D+00  0.841772D-01  0.464810D+00 -0.179650D+01  0.138803D+01
                26            27            28            29            30 
      1   0.537353D+01  0.525143D+01  0.908411D+00  0.643593D+01 -0.948515D+00
      2  -0.371105D+01  0.102360D+02  0.501145D+01 -0.357468D+01 -0.407780D+01
      3  -0.166248D+01 -0.154875D+02 -0.591986D+01 -0.286125D+01  0.502632D+01
      4  -0.195367D+01  0.913249D+00  0.569104D+01 -0.179350D+01 -0.588341D+01
      5   0.187159D+01  0.209770D+01  0.577241D+01 -0.463398D+01 -0.159857D+02
      6   0.296354D+01  0.539951D+01 -0.257229D+01  0.688069D+00 -0.335576D+01
                31            32            33            34            35 
      1   0.854552D+01  0.194388D+01 -0.291874D+01  0.871833D+01 -0.171476D+01
      2  -0.483522D+01  0.107901D+00  0.457137D+01 -0.507275D+01 -0.424153D+01
      3  -0.371031D+01 -0.205178D+01 -0.165263D+01 -0.364558D+01  0.595630D+01
      4   0.396210D+01 -0.388799D+01 -0.816839D+00 -0.104782D+02  0.429712D+01
      5  -0.105627D+02  0.430141D+00 -0.462297D+01 -0.210035D+02 -0.123321D+01
      6  -0.138782D+01 -0.647626D+01  0.102110D+01 -0.307883D+01 -0.602339D+01
                36            37            38            39            40 
      1  -0.557175D+01 -0.163215D+02 -0.890120D+01  0.738788D+01 -0.114322D+02
      2   0.970558D+01  0.196830D+01  0.286807D+01 -0.514244D+01  0.370557D+01
      3  -0.413383D+01  0.143532D+02  0.603313D+01 -0.224544D+01  0.772664D+01
      4   0.802221D+00 -0.135856D+02 -0.314857D+01  0.344634D+01  0.129255D+01
      5   0.169377D+02  0.741495D+01  0.102657D+01  0.101010D+02  0.438479D+01
      6  -0.220806D+01  0.204360D+01  0.227693D+01  0.168591D+01  0.312802D+01
                41            42            43            44            45 
      1  -0.117814D+02 -0.222696D+01  0.133670D+02  0.126877D+01 -0.300645D+01
      2   0.124319D+02  0.150153D+01 -0.963990D+01  0.226985D+00 -0.886366D+01
      3  -0.650497D+00  0.725428D+00 -0.372713D+01 -0.149575D+01  0.118701D+02
      4   0.749269D+01  0.777042D+01  0.113157D+02  0.974558D+01  0.518645D+01
      5   0.711743D+01  0.535843D+01  0.174815D+02  0.814355D+01  0.211422D+02
      6   0.731981D+01  0.822177D+01  0.453707D+01  0.105669D+02  0.831857D+01
                46            47            48            49            50 
      1  -0.511431D+00  0.218197D+02 -0.218690D+02  0.246010D+02 -0.766384D+01
      2  -0.292958D+00 -0.136368D+02  0.108622D+02 -0.166045D+02 -0.145106D+01
      3   0.804390D+00 -0.818290D+01  0.110068D+02 -0.799656D+01  0.911490D+01
      4   0.214050D+02 -0.566880D+01  0.212167D+01 -0.104310D+02 -0.274174D+02
      5  -0.238108D+02  0.289966D+01 -0.116246D+02  0.365269D+01 -0.424738D+01
      6   0.163459D+00  0.169938D+00  0.842280D+00 -0.735931D+00 -0.479890D+00
                51            52            53            54            55 
      1   0.550918D+01 -0.284349D+02  0.407165D+01 -0.965283D+01  0.162889D+02
      2  -0.677572D+00  0.122524D+02 -0.180642D+00  0.140031D+02 -0.136213D+02
      3  -0.483161D+01  0.161825D+02 -0.389101D+01 -0.435024D+01 -0.266763D+01
      4  -0.244854D+01  0.303687D+01 -0.155232D+01  0.137281D+02  0.695397D+01
      5   0.158171D+02 -0.192922D+02  0.145177D+02  0.277361D+02 -0.108996D+01
      6   0.812537D+00  0.166931D+01 -0.135860D+01 -0.149495D+01  0.633681D+01
                56            57            58            59            60 
      1  -0.677003D+01  0.742994D+00 -0.723398D+01 -0.153871D+02 -0.970832D+00
      2   0.109576D+02 -0.140782D+01  0.133428D+02  0.296694D+02  0.244305D+01
      3  -0.418758D+01  0.664823D+00 -0.610884D+01 -0.142823D+02 -0.147221D+01
      4  -0.553800D+01  0.484656D+01  0.386197D+01  0.158160D+02 -0.302360D+01
      5   0.213869D+01  0.129277D+01  0.188203D+01 -0.206092D+01  0.197242D+01
      6  -0.452240D+01  0.126875D+02 -0.479766D+01  0.402254D+01 -0.801426D+00
                61            62            63            64            65 
      1   0.278366D+01  0.466581D+00  0.358873D+01  0.258004D+02 -0.217893D+01
      2  -0.236467D+01  0.314484D+01 -0.589537D+01 -0.190684D+02 -0.517706D+00
      3  -0.418991D+00 -0.361142D+01  0.230663D+01 -0.673205D+01  0.269663D+01
      4   0.497588D+01 -0.295332D+01  0.117589D+02 -0.746615D+01  0.105363D+02
      5   0.357539D+01  0.404931D+01 -0.156115D+01 -0.205359D+02  0.484326D+01
      6   0.145525D+02 -0.382416D+01 -0.126207D+02  0.171140D+01 -0.314788D+01
                66            67            68            69            70 
      1  -0.929638D+01 -0.585591D+01 -0.125835D+01  0.798805D+00 -0.128157D+02
      2   0.116887D+02  0.416384D+01  0.352272D+01 -0.856744D+00  0.141071D+02
      3  -0.239236D+01  0.169207D+01 -0.226437D+01  0.579391D-01 -0.129141D+01
      4   0.539538D+01  0.106884D+02 -0.565471D+01 -0.859606D+01  0.469056D+01
      5   0.230236D+02  0.432155D+01 -0.100005D+02 -0.253264D+01  0.259832D+02
      6  -0.149567D+00 -0.339107D+01  0.248178D+01  0.814141D+01 -0.183235D+01
                71            72            73            74            75 
      1  -0.188273D+01 -0.274664D+01  0.826378D+00  0.131661D+00  0.865291D+00
      2   0.367652D+01 -0.205406D+02 -0.409605D+01  0.737232D-01  0.106463D+01
      3  -0.179378D+01  0.232873D+02  0.326967D+01 -0.205384D+00 -0.192992D+01
      4  -0.976288D+01 -0.714091D+01  0.351586D+00  0.146400D+01 -0.604733D+00
      5  -0.447861D+01 -0.399518D+02 -0.129039D+01  0.170078D+00  0.547835D+01
      6   0.859680D+01  0.478600D+00 -0.848358D+00 -0.717480D+00  0.381512D+00
                76            77            78            79            80 
      1   0.432515D+00 -0.363934D+01 -0.759447D+00  0.251755D+00  0.663619D+00
      2   0.572278D-01  0.788316D+00 -0.195228D+01  0.133691D+01 -0.289601D+01
      3  -0.489743D+00  0.285102D+01  0.271173D+01 -0.158866D+01  0.223239D+01
      4   0.169449D+01 -0.222798D+00 -0.401760D+00 -0.681070D+00 -0.252367D-01
      5   0.180265D+00 -0.776123D+00 -0.826294D+00  0.412490D+01  0.961532D-01
      6  -0.264856D+00  0.332779D+00  0.522480D+01 -0.810227D-02  0.383633D+01
                81            82            83            84            85 
      1  -0.157417D+02  0.183070D+01  0.229058D+01  0.233818D+01  0.292165D+01
      2  -0.149898D+02 -0.432052D+01 -0.932795D+00 -0.616214D+00 -0.168488D+01
      3   0.307315D+02  0.248982D+01 -0.135779D+01 -0.172196D+01 -0.123677D+01
      4   0.670566D+00  0.204873D+01  0.772796D+00  0.529133D+00  0.119053D+01
      5  -0.166392D+01  0.131866D+01  0.742225D+00  0.541792D+01  0.332136D+00
      6  -0.556811D+01  0.787099D+00 -0.292453D+00 -0.471920D+00  0.114360D+00
                86            87            88            89            90 
      1  -0.540684D+01 -0.271091D+01  0.359211D+01 -0.173601D+01 -0.164539D+02
      2   0.162647D+01 -0.154100D+01 -0.208984D+01 -0.329719D+01 -0.152230D+02
      3   0.378037D+01  0.425191D+01 -0.150227D+01  0.503320D+01  0.316770D+02
      4   0.678530D+00  0.301751D+01  0.720106D+00  0.351098D+01  0.374106D+01
      5   0.343637D+01  0.369920D+01  0.345728D+01  0.338949D+01  0.186579D+02
      6   0.310847D+01  0.723661D+01  0.180475D+00  0.441862D+01  0.301088D+01
                91            92            93            94            95 
      1   0.409754D+02  0.152332D+02  0.757151D+00  0.944982D+01  0.650995D+01
      2  -0.172951D+02 -0.479684D+01 -0.131049D+01 -0.145550D+01  0.753606D+00
      3  -0.236803D+02 -0.104364D+02  0.553335D+00 -0.799431D+01 -0.726356D+01
      4   0.240244D+02  0.149123D+02  0.151577D+01  0.143440D+02  0.116904D+02
      5   0.754878D+01  0.343853D+01  0.576601D+01  0.220058D+01  0.220481D+01
      6   0.163188D+01  0.172874D+01  0.166407D+01  0.138204D+01  0.116585D+01
                96            97            98            99           100 
      1   0.556375D+00 -0.107529D+02 -0.446356D+01  0.266871D+01 -0.285578D+01
      2  -0.806477D+00  0.326198D+01  0.527359D+00 -0.113193D+01  0.760862D+01
      3   0.250103D+00  0.749091D+01  0.393620D+01 -0.153678D+01 -0.475283D+01
      4   0.611503D+00 -0.733353D+01 -0.477472D+01  0.276437D+01 -0.101571D+02
      5   0.250270D+01  0.424636D+01  0.184006D+01 -0.322681D+00  0.370974D+01
      6   0.178834D+01  0.218563D+01  0.171607D+01 -0.457835D+00 -0.762715D+01
               101           102           103           104           105 
      1   0.761442D+01 -0.307236D+01  0.520821D+01 -0.120178D+02  0.439049D+01
      2  -0.136709D+02  0.456706D+01 -0.988452D+01  0.205654D+02 -0.690462D+01
      3   0.605652D+01 -0.149470D+01  0.467631D+01 -0.854754D+01  0.251413D+01
      4   0.144983D+02 -0.684050D+01  0.122328D+02 -0.121068D+02  0.559616D+01
      5  -0.375606D+01  0.426021D+01 -0.212021D+01  0.331649D+01 -0.191451D+01
      6   0.939410D+01 -0.852632D+01  0.709531D+01 -0.105020D+02  0.881330D+01
               106           107           108           109           110 
      1  -0.414461D+01  0.786049D+01 -0.660095D+01 -0.198662D+01  0.241438D+01
      2   0.482973D+01 -0.993658D+01  0.506214D+01  0.248539D+01 -0.365763D+01
      3  -0.685124D+00  0.207609D+01  0.153882D+01 -0.498778D+00  0.124325D+01
      4  -0.862875D+01  0.787830D+01 -0.724203D+01 -0.103846D+01  0.459255D+01
      5   0.408798D+01 -0.339069D+01  0.381974D+01 -0.110337D+01  0.391688D+00
      6  -0.880409D+01  0.124486D+02 -0.112503D+02  0.104035D+01 -0.359970D+01
               111           112           113           114           115 
      1   0.174691D+01  0.947403D+00 -0.477810D+01 -0.277530D+01  0.125778D+01
      2  -0.219952D+01 -0.173177D+01  0.675134D+01  0.383691D+01 -0.162591D+01
      3   0.452609D+00  0.784362D+00 -0.197324D+01 -0.106160D+01  0.368129D+00
      4   0.106695D+01  0.422926D+01 -0.216336D+01 -0.247508D+01  0.454883D+01
      5   0.212158D+01  0.142781D+00 -0.107282D+01 -0.856723D+00  0.163045D+01
      6  -0.489335D+01 -0.299717D+01  0.458071D+01  0.796464D+01 -0.548120D+01
               116           117           118           119           120 
      1  -0.832874D+01 -0.892768D+01  0.559615D+02 -0.117205D+02  0.172728D+02
      2   0.989984D+01  0.383457D+01 -0.300478D+02  0.571663D+01 -0.993440D+01
      3  -0.157110D+01  0.509311D+01 -0.259137D+02  0.600391D+01 -0.733838D+01
      4  -0.322151D+01 -0.402812D+01 -0.122019D+02  0.109992D+02 -0.386281D+01
      5  -0.116805D+01 -0.185485D+01  0.201445D+02 -0.445571D+01  0.153680D+02
      6   0.110449D+02  0.223472D+02 -0.268893D+00  0.531216D+00 -0.196071D+00
               121           122           123           124           125 
      1  -0.208880D+02  0.887908D+01 -0.458503D+01  0.264850D+02 -0.391610D+01
      2   0.107710D+02 -0.240843D+01  0.219358D+01 -0.157639D+02  0.203680D+01
      3   0.101170D+02 -0.647065D+01  0.239144D+01 -0.107211D+02  0.187930D+01
      4   0.137558D+02 -0.723883D+01  0.544387D+01 -0.515711D+01  0.707653D+01
      5  -0.650569D+01  0.568299D+01 -0.811296D+01  0.200302D+02 -0.647005D+01
      6   0.140843D+01 -0.158495D+01  0.200774D+01 -0.962674D+00  0.230739D+01
               126           127           128           129           130 
      1   0.121385D+02  0.743072D+01 -0.335995D+01 -0.538791D+01 -0.695540D+01
      2  -0.107783D+02 -0.660388D+01  0.226269D+01  0.465739D+01  0.457411D+01
      3  -0.136024D+01 -0.826840D+00  0.109726D+01  0.730526D+00  0.238129D+01
      4  -0.573504D+01 -0.322730D+01  0.292562D+01  0.107128D+01  0.502837D+01
      5   0.139114D+02 -0.662908D+01  0.139933D+01  0.112781D+02  0.370739D+01
      6  -0.110545D+01  0.921148D+00 -0.102999D+00  0.528608D-01 -0.178141D+01
               131           132           133           134           135 
      1   0.468416D+00 -0.344967D+00 -0.106835D+02 -0.109913D+01  0.109209D+01
      2  -0.464313D+00 -0.210571D+01  0.104045D+02 -0.102204D+01 -0.180412D+02
      3  -0.410313D-02  0.245068D+01  0.279042D+00  0.212118D+01  0.169491D+02
      4  -0.179288D+01 -0.636785D+01  0.133519D+01 -0.808843D+01 -0.669007D+01
      5  -0.594438D+01 -0.933567D+01  0.197274D+02 -0.645603D+01 -0.416390D+02
      6   0.266235D+01  0.471484D+01 -0.114057D+01  0.495375D+01  0.215579D+01
               136           137           138           139           140 
      1   0.369102D+01  0.478801D+01  0.223408D+01  0.130194D+02  0.160953D+01
      2   0.114140D+01  0.232059D+00 -0.125505D+01 -0.383941D+01  0.132346D+02
      3  -0.483241D+01 -0.502007D+01 -0.979025D+00 -0.917998D+01 -0.148441D+02
      4   0.692451D+01  0.122885D+02 -0.296282D+00  0.167284D+02  0.414848D+02
      5   0.196496D+01 -0.547607D+00  0.287140D+01 -0.116692D+01  0.135511D+01
      6  -0.316434D+00 -0.673172D+00  0.961095D+00  0.981450D-01 -0.992498D+00
               141           142           143           144           145 
      1  -0.900302D+00  0.376128D+01 -0.531276D+00  0.991028D+00 -0.772498D+01
      2   0.757685D+00 -0.172028D+01  0.458364D+00 -0.114214D+01  0.800669D+01
      3   0.142617D+00 -0.204100D+01  0.729124D-01  0.151112D+00 -0.281714D+00
      4   0.233375D+00  0.937113D-01  0.892585D+00  0.331476D+01  0.161917D+02
      5   0.570119D+01  0.529898D+01  0.397661D+01 -0.233569D+01 -0.301905D+01
      6   0.412740D+01  0.108290D+01  0.513032D+01  0.519274D+00 -0.941065D+01
               146           147           148           149           150 
      1  -0.123180D+02  0.601863D+01 -0.794673D+01 -0.880443D+01  0.409032D+01
      2   0.147099D+02 -0.352448D+01  0.991023D+01  0.121153D+02 -0.444145D+01
      3  -0.239187D+01 -0.249415D+01 -0.196349D+01 -0.331089D+01  0.351138D+00
      4   0.821887D+01 -0.644717D+01  0.835299D+01  0.578471D+01 -0.234142D+01
      5  -0.213992D+01  0.272473D+01 -0.130661D+01 -0.103846D+01 -0.241586D-01
      6  -0.663089D+01  0.788963D+01 -0.492222D+01 -0.613138D+01  0.675723D+01
               151           152           153           154           155 
      1   0.620095D+01  0.625164D+01 -0.758231D+01 -0.120698D+01 -0.224650D+01
      2  -0.316528D+01 -0.652968D+01  0.367440D+01  0.167284D+01  0.812174D+00
      3  -0.303566D+01  0.278045D+00  0.390791D+01 -0.465856D+00  0.143432D+01
      4  -0.691140D+01 -0.166335D+01  0.276270D+01 -0.173002D+01  0.573837D+01
      5   0.337120D+01 -0.507867D+00 -0.221971D+01 -0.133869D+01  0.537621D+00
      6   0.639461D+01  0.894224D+01 -0.609342D+01  0.206016D+01  0.665647D-01
               156           157           158           159           160 
      1  -0.144478D+01 -0.109857D+01 -0.667559D+01 -0.559230D+01 -0.215666D+01
      2   0.828624D+00  0.882157D-02  0.913770D+01  0.745498D+01  0.101619D+01
      3   0.616151D+00  0.108975D+01 -0.246211D+01 -0.186269D+01  0.114046D+01
      4   0.217132D+01  0.444277D+01 -0.378331D+01 -0.274420D+01  0.440554D+01
      5   0.406670D+01 -0.903118D-01 -0.290970D+01 -0.321341D+01  0.454306D+01
      6  -0.389583D+00 -0.112785D+00  0.881577D+01  0.124344D+02 -0.119519D+01
               161           162           163           164           165 
      1  -0.996471D+01 -0.113764D+02  0.125399D+02 -0.187436D+01  0.288390D+01
      2   0.124858D+02  0.427024D+01  0.460322D+00 -0.938964D+01 -0.431405D+00
      3  -0.252110D+01  0.710615D+01 -0.130002D+02  0.112640D+02 -0.245249D+01
      4  -0.630741D+01 -0.607274D+01 -0.270008D+02  0.240609D+02 -0.114796D+02
      5  -0.599681D+01 -0.128038D+02  0.113703D+02 -0.736008D+01  0.942207D+01
      6   0.161622D+02  0.282201D+02 -0.110604D+02  0.863247D+01 -0.943110D+01
               166           167           168           169           170 
      1  -0.113149D+01 -0.328658D+01  0.201561D+01  0.362551D+01  0.295804D+01
      2  -0.725191D+01  0.140257D+02 -0.468899D+01 -0.987064D+00 -0.629754D+01
      3   0.838340D+01 -0.107391D+02  0.267337D+01 -0.263844D+01  0.333950D+01
      4   0.182429D+02 -0.195749D+02  0.769013D+01 -0.124076D+02  0.108684D+02
      5  -0.472016D+01  0.648822D+01 -0.481881D+01  0.961839D+01 -0.739688D+01
      6   0.644974D+01 -0.976193D+01  0.912079D+01 -0.828846D+01  0.117840D+02
               171 
      1  -0.182101D+01
      2   0.114960D+01
      3   0.671413D+00
      4  -0.102327D+02
      5   0.835151D+01
      6  -0.884148D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501586D+00      0.127490D+01      0.425262D+01
   x         -0.156035D+00     -0.396600D+00     -0.132292D+01
   y         -0.239543D+00     -0.608856D+00     -0.203093D+01
   z         -0.412142D+00     -0.104756D+01     -0.349428D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.752545D+02      0.111516D+02      0.124078D+02
   aniso      0.141936D+02      0.210328D+01      0.234021D+01
   xx         0.826561D+02      0.122484D+02      0.136281D+02
   yx         0.225054D+01      0.333496D+00      0.371065D+00
   yy         0.756861D+02      0.112155D+02      0.124790D+02
   zx        -0.872645D+00     -0.129313D+00     -0.143880D+00
   zy         0.177831D+01      0.263518D+00      0.293203D+00
   zz         0.674213D+02      0.999081D+01      0.111163D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.808463D+02      0.119802D+02      0.133298D+02
   aniso      0.146226D+02      0.216685D+01      0.241094D+01
   xx         0.885055D+02      0.131152D+02      0.145926D+02
   yx         0.216710D+01      0.321131D+00      0.357306D+00
   yy         0.811768D+02      0.120292D+02      0.133843D+02
   zx        -0.143892D+01     -0.213225D+00     -0.237245D+00
   zy         0.178954D+01      0.265183D+00      0.295056D+00
   zz         0.728566D+02      0.107962D+02      0.120124D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.90593186          3.25453438          0.61880130
     6          1.88158911          0.86762348         -1.00881899
     6          0.19017088         -1.22583914          0.12243907
     6         -2.40174390         -0.14745990          0.75559996
     8         -2.73278105          0.24537777          3.25832453
     6          4.55883121         -0.12821430         -1.42067457
     7         -0.00640606         -3.34736487         -1.62753542
     8         -4.01847569          0.31470458         -0.77955007
     1          1.05581436         -1.89619419          1.87100190
     1          1.05865054          1.34533023         -2.84799768
     1         -4.40894597          0.95998834          3.47637343
     1         -0.85606360         -4.84376275         -0.78808298
     1         -1.10707157         -2.84155957         -3.11516570
     1          5.70682207          1.27766173         -2.40069455
     1          5.46784590         -0.53000369          0.39159401
     1          4.54261460         -1.86019460         -2.52912234
     1          0.03910914          4.11499039          0.77550808
     1          2.57642298          2.84101298          2.52770983
     1          3.17103297          4.65977171         -0.20264900

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501586D+00      0.127490D+01      0.425262D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.501586D+00      0.127490D+01      0.425262D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.752545D+02      0.111516D+02      0.124078D+02
   aniso      0.141936D+02      0.210328D+01      0.234021D+01
   xx         0.813922D+02      0.120611D+02      0.134198D+02
   yx        -0.708765D-01     -0.105028D-01     -0.116860D-01
   yy         0.719725D+02      0.106652D+02      0.118667D+02
   zx        -0.414836D+01     -0.614723D+00     -0.683972D+00
   zy         0.465194D+01      0.689346D+00      0.767001D+00
   zz         0.723989D+02      0.107284D+02      0.119370D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.808463D+02      0.119802D+02      0.133298D+02
   aniso      0.146226D+02      0.216685D+01      0.241094D+01
   xx         0.875462D+02      0.129730D+02      0.144344D+02
   yx        -0.204339D+00     -0.302800D-01     -0.336910D-01
   yy         0.774114D+02      0.114712D+02      0.127634D+02
   zx        -0.384438D+01     -0.569679D+00     -0.633853D+00
   zy         0.477274D+01      0.707246D+00      0.786918D+00
   zz         0.775814D+02      0.114964D+02      0.127914D+02

 ----------------------------------------------------------------------
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 OPTIMIST - A PESSIMIST WHO LACKS EXPERIENCE
 Job cpu time:       0 days  7 hours 17 minutes  2.3 seconds.
 Elapsed time:       0 days  0 hours 54 minutes 40.3 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Sun Sep 26 20:25:30 2021.
